Tree Display

AceDB Schema

XML Display

Feedback

LongText Report for: 4UZA-pdb

Name Class
4UZA-pdb
HEADER    HYDROLASE                               04-SEP-14   4UZA              
TITLE     STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM VIII -            
TITLE    2 PHOSPHATE COMPLEX - 2.4A                                             
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN NOTUM HOMOLOG;                                     
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 80-452;                                           
COMPND   5 EC: 3.1.1.1;                                                         
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: YES;                                                       
COMPND   8 OTHER_DETAILS: GLYCOSYLATED AT N96                                   
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE   6 EXPRESSION_SYSTEM_COMMON: HUMAN;                                     
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE   8 EXPRESSION_SYSTEM_CELL_LINE: HEK293T;                                
SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PHLSEC                                    
KEYWDS    HYDROLASE, WNT, ESTERASE, EXTRACELLULAR, ALPHA/BETA HYDROLASE         
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.ZEBISCH,E.Y.JONES                                                   
REVDAT   1   25-FEB-15 4UZA    0                                                
JRNL        AUTH   S.KAKUGAWA,P.F.LANGTON,M.ZEBISCH,S.A.HOWELL,T.-H.CHANG,      
JRNL        AUTH 2 Y.LIU,T.FEIZI,G.BINEVA,N.O'REILLY,A.P.SNIJDERS,E.Y.JONES,    
JRNL        AUTH 3 J.-P.VINCENT                                                 
JRNL        TITL   NOTUM DEACYLATES WNT PROTEINS TO SUPPRESS SIGNALLING         
JRNL        TITL 2 ACTIVITY                                                     
JRNL        REF    NATURE                                     2015              
JRNL        REFN                   ESSN 1476-4687                               
JRNL        DOI    10.1038/NATURE14259                                          
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.40 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.8.0073                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,                      
REMARK   3                 STEINER,NICHOLLS,WINN,LONG,VAGIN                     
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : MAXIMUM LIKELIHOOD                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 134.15                         
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.89                          
REMARK   3   NUMBER OF REFLECTIONS             : 20561                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT                      
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM                          
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.21013                         
REMARK   3   R VALUE            (WORKING SET) : 0.20710                         
REMARK   3   FREE R VALUE                     : 0.27106                         
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.8                             
REMARK   3   FREE R VALUE TEST SET COUNT      : 1032                            
REMARK   3                                                                      
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.                                  
REMARK   3   TOTAL NUMBER OF BINS USED           : 20                           
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.400                        
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.463                        
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 1487                         
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 100.00                       
REMARK   3   BIN R VALUE           (WORKING SET) : 0.322                        
REMARK   3   BIN FREE R VALUE SET COUNT          : 80                           
REMARK   3   BIN FREE R VALUE                    : 0.412                        
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 2840                                    
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 19                                      
REMARK   3   SOLVENT ATOMS            : 23                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 56.1                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 63.956                         
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.00                                                 
REMARK   3    B22 (A**2) : 0.00                                                 
REMARK   3    B33 (A**2) : 0.00                                                 
REMARK   3    B12 (A**2) : 0.00                                                 
REMARK   3    B13 (A**2) : 0.00                                                 
REMARK   3    B23 (A**2) : 0.00                                                 
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.286         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.248         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.208         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 20.279        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.950                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.913                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):  2948 ; 0.011 ; 0.019       
REMARK   3   BOND LENGTHS OTHERS               (A):  2705 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):  4013 ; 1.537 ; 1.944       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  6204 ; 0.828 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):   354 ; 6.647 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):   142 ;35.132 ;22.887       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   471 ;16.139 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):    27 ;17.253 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):   425 ; 0.085 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):  3335 ; 0.007 ; 0.021       
REMARK   3   GENERAL PLANES OTHERS             (A):   728 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   NON-BONDED TORSION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):  NULL ;  NULL ;  NULL       
REMARK   3   H-BOND (X...Y) OTHERS             (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION REFINED ATOMS (A):  NULL ;  NULL ;  NULL       
REMARK   3   POTENTIAL METAL-ION OTHERS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW REFINED ATOMS        (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY VDW OTHERS               (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY H-BOND OTHERS            (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION REFINED ATOMS  (A):  NULL ;  NULL ;  NULL       
REMARK   3   SYMMETRY METAL-ION OTHERS         (A):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.     COUNT   RMS    WEIGHT      
REMARK   3   MAIN-CHAIN BOND REFINED ATOMS  (A**2):  1419 ; 2.833 ; 4.350       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  1418 ; 2.830 ; 4.349       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):  1769 ; 4.389 ; 6.514       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):  1529 ; 3.923 ; 4.986       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B REFINED ATOMS     (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   LONG RANGE B OTHER ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3 ANISOTROPIC THERMAL FACTOR RESTRAINTS.    COUNT   RMS   WEIGHT       
REMARK   3   RIGID-BOND RESTRAINTS          (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; FREE ATOMS         (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SPHERICITY; BONDED ATOMS       (A**2):  NULL ;  NULL ;  NULL       
REMARK   3                                                                      
REMARK   3  NCS RESTRAINTS STATISTICS                                           
REMARK   3   NUMBER OF DIFFERENT NCS GROUPS : NULL                              
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : 1                                          
REMARK   3                                                                      
REMARK   3   TLS GROUP : 1                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     1        A   451                          
REMARK   3    ORIGIN FOR THE GROUP (A):  16.9694 -58.1932 -32.7489              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0264 T22:   0.1472                                     
REMARK   3      T33:   0.1823 T12:  -0.0291                                     
REMARK   3      T13:   0.0561 T23:  -0.0105                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   1.0881 L22:   1.4717                                     
REMARK   3      L33:   1.0602 L12:  -0.6169                                     
REMARK   3      L13:   0.5161 L23:   0.2722                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1057 S12:  -0.2591 S13:   0.0926                       
REMARK   3      S21:  -0.0930 S22:  -0.0012 S23:  -0.1937                       
REMARK   3      S31:   0.0444 S32:  -0.1553 S33:  -0.1045                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : MASK                                                 
REMARK   3   PARAMETERS FOR MASK CALCULATION                                    
REMARK   3   VDW PROBE RADIUS   : 1.20                                          
REMARK   3   ION PROBE RADIUS   : 0.80                                          
REMARK   3   SHRINKAGE RADIUS   : 0.80                                          
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING   
REMARK   3  POSITIONS.                                                          
REMARK   4                                                                      
REMARK   4 4UZA COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 05-SEP-14.                  
REMARK 100 THE PDBE ID CODE IS EBI-61697.                                       
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 10-MAY-14                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.3                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I04                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9793                             
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL (PILATUS)                    
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS                            
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS                                
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS                            
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 21598                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.40                               
REMARK 200  RESOLUTION RANGE LOW       (A) : 70.00                              
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.0                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY                : 21.2                               
REMARK 200  R MERGE                    (I) : 0.12                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : 25.00                              
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200   FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER                        
REMARK 200 SOFTWARE USED: NULL                                                  
REMARK 200 STARTING MODEL: NONE                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 59                                        
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3                        
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.630 M K2HPO4 1.170 M NAH2PO4 6.300     
REMARK 280  PH FINAL PH                                                         
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: F 4 3 2                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z                                                 
REMARK 290       3555   -X,Y,-Z                                                 
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   Z,X,Y                                                   
REMARK 290       6555   Z,-X,-Y                                                 
REMARK 290       7555   -Z,-X,Y                                                 
REMARK 290       8555   -Z,X,-Y                                                 
REMARK 290       9555   Y,Z,X                                                   
REMARK 290      10555   -Y,Z,-X                                                 
REMARK 290      11555   Y,-Z,-X                                                 
REMARK 290      12555   -Y,-Z,X                                                 
REMARK 290      13555   Y,X,-Z                                                  
REMARK 290      14555   -Y,-X,-Z                                                
REMARK 290      15555   Y,-X,Z                                                  
REMARK 290      16555   -Y,X,Z                                                  
REMARK 290      17555   X,Z,-Y                                                  
REMARK 290      18555   -X,Z,Y                                                  
REMARK 290      19555   -X,-Z,-Y                                                
REMARK 290      20555   X,-Z,Y                                                  
REMARK 290      21555   Z,Y,-X                                                  
REMARK 290      22555   Z,-Y,X                                                  
REMARK 290      23555   -Z,Y,X                                                  
REMARK 290      24555   -Z,-Y,-X                                                
REMARK 290      25555   X,Y+1/2,Z+1/2                                           
REMARK 290      26555   -X,-Y+1/2,Z+1/2                                         
REMARK 290      27555   -X,Y+1/2,-Z+1/2                                         
REMARK 290      28555   X,-Y+1/2,-Z+1/2                                         
REMARK 290      29555   Z,X+1/2,Y+1/2                                           
REMARK 290      30555   Z,-X+1/2,-Y+1/2                                         
REMARK 290      31555   -Z,-X+1/2,Y+1/2                                         
REMARK 290      32555   -Z,X+1/2,-Y+1/2                                         
REMARK 290      33555   Y,Z+1/2,X+1/2                                           
REMARK 290      34555   -Y,Z+1/2,-X+1/2                                         
REMARK 290      35555   Y,-Z+1/2,-X+1/2                                         
REMARK 290      36555   -Y,-Z+1/2,X+1/2                                         
REMARK 290      37555   Y,X+1/2,-Z+1/2                                          
REMARK 290      38555   -Y,-X+1/2,-Z+1/2                                        
REMARK 290      39555   Y,-X+1/2,Z+1/2                                          
REMARK 290      40555   -Y,X+1/2,Z+1/2                                          
REMARK 290      41555   X,Z+1/2,-Y+1/2                                          
REMARK 290      42555   -X,Z+1/2,Y+1/2                                          
REMARK 290      43555   -X,-Z+1/2,-Y+1/2                                        
REMARK 290      44555   X,-Z+1/2,Y+1/2                                          
REMARK 290      45555   Z,Y+1/2,-X+1/2                                          
REMARK 290      46555   Z,-Y+1/2,X+1/2                                          
REMARK 290      47555   -Z,Y+1/2,X+1/2                                          
REMARK 290      48555   -Z,-Y+1/2,-X+1/2                                        
REMARK 290      49555   X+1/2,Y,Z+1/2                                           
REMARK 290      50555   -X+1/2,-Y,Z+1/2                                         
REMARK 290      51555   -X+1/2,Y,-Z+1/2                                         
REMARK 290      52555   X+1/2,-Y,-Z+1/2                                         
REMARK 290      53555   Z+1/2,X,Y+1/2                                           
REMARK 290      54555   Z+1/2,-X,-Y+1/2                                         
REMARK 290      55555   -Z+1/2,-X,Y+1/2                                         
REMARK 290      56555   -Z+1/2,X,-Y+1/2                                         
REMARK 290      57555   Y+1/2,Z,X+1/2                                           
REMARK 290      58555   -Y+1/2,Z,-X+1/2                                         
REMARK 290      59555   Y+1/2,-Z,-X+1/2                                         
REMARK 290      60555   -Y+1/2,-Z,X+1/2                                         
REMARK 290      61555   Y+1/2,X,-Z+1/2                                          
REMARK 290      62555   -Y+1/2,-X,-Z+1/2                                        
REMARK 290      63555   Y+1/2,-X,Z+1/2                                          
REMARK 290      64555   -Y+1/2,X,Z+1/2                                          
REMARK 290      65555   X+1/2,Z,-Y+1/2                                          
REMARK 290      66555   -X+1/2,Z,Y+1/2                                          
REMARK 290      67555   -X+1/2,-Z,-Y+1/2                                        
REMARK 290      68555   X+1/2,-Z,Y+1/2                                          
REMARK 290      69555   Z+1/2,Y,-X+1/2                                          
REMARK 290      70555   Z+1/2,-Y,X+1/2                                          
REMARK 290      71555   -Z+1/2,Y,X+1/2                                          
REMARK 290      72555   -Z+1/2,-Y,-X+1/2                                        
REMARK 290      73555   X+1/2,Y+1/2,Z                                           
REMARK 290      74555   -X+1/2,-Y+1/2,Z                                         
REMARK 290      75555   -X+1/2,Y+1/2,-Z                                         
REMARK 290      76555   X+1/2,-Y+1/2,-Z                                         
REMARK 290      77555   Z+1/2,X+1/2,Y                                           
REMARK 290      78555   Z+1/2,-X+1/2,-Y                                         
REMARK 290      79555   -Z+1/2,-X+1/2,Y                                         
REMARK 290      80555   -Z+1/2,X+1/2,-Y                                         
REMARK 290      81555   Y+1/2,Z+1/2,X                                           
REMARK 290      82555   -Y+1/2,Z+1/2,-X                                         
REMARK 290      83555   Y+1/2,-Z+1/2,-X                                         
REMARK 290      84555   -Y+1/2,-Z+1/2,X                                         
REMARK 290      85555   Y+1/2,X+1/2,-Z                                          
REMARK 290      86555   -Y+1/2,-X+1/2,-Z                                        
REMARK 290      87555   Y+1/2,-X+1/2,Z                                          
REMARK 290      88555   -Y+1/2,X+1/2,Z                                          
REMARK 290      89555   X+1/2,Z+1/2,-Y                                          
REMARK 290      90555   -X+1/2,Z+1/2,Y                                          
REMARK 290      91555   -X+1/2,-Z+1/2,-Y                                        
REMARK 290      92555   X+1/2,-Z+1/2,Y                                          
REMARK 290      93555   Z+1/2,Y+1/2,-X                                          
REMARK 290      94555   Z+1/2,-Y+1/2,X                                          
REMARK 290      95555   -Z+1/2,Y+1/2,X                                          
REMARK 290      96555   -Z+1/2,-Y+1/2,-X                                        
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   5  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   6  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2   6 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   7  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   7 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   7  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2   8  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3   8  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1   9  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2   9  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3   9  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  10  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  10  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  10 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  11  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  11  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  11 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  12  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  12  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  12  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  13  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  13  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  13  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  14  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  14 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  14  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  15  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  15 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  15  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  16  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  16  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  16  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  17  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  17  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  17  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  18 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  18  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  18  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  19 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  19  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  19  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  20  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  20  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  20  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  21  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  21  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  21 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  22  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  22  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  22  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  23  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  23  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  23  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  24  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  24  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  24 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  25  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  25  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  25  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY1  26 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  26  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  26  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY1  27 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  27  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  27  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY1  28  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  28  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  28  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY1  29  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  29  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  29  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  30  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  30 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  30  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  31  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  31 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  31  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  32  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  32  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  32  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  33  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  33  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY3  33  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  34  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  34  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY3  34 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  35  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  35  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY3  35 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  36  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  36  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY3  36  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  37  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  37  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  37  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY1  38  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  38 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  38  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY1  39  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  39 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  39  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY1  40  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY2  40  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  40  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY1  41  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  41  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY3  41  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  42 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  42  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY3  42  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  43 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  43  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY3  43  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  44  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2  44  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY3  44  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  45  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  45  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  45 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  46  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY2  46  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  46  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  47  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  47  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  47  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  48  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY2  48  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  48 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  49  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  49  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  49  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY1  50 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  50  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  50  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY1  51 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  51  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  51  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY1  52  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  52  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  52  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY1  53  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY2  53  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  53  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  54  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY2  54 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  54  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  55  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY2  55 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  55  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  56  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY2  56  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  56  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  57  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  57  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  57  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  58  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  58  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  58 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  59  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  59  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  59 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  60  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  60  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  60  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  61  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  61  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  61  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY1  62  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  62 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  62  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY1  63  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  63 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  63  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY1  64  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  64  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY3  64  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY1  65  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  65  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  65  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  66 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  66  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY3  66  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  67 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  67  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  67  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  68  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  68  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY3  68  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY1  69  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY2  69  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  69 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  70  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY2  70  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  70  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  71  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY2  71  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  71  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  72  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY2  72  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3  72 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY1  73  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  73  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  73  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  74 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  74  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  74  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  75 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  75  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  75  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  76  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  76  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  76  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  77  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY2  77  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  77  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  78  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY2  78 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  78  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  79  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY2  79 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  79  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  80  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY2  80  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  80  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  81  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  81  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY3  81  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  82  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  82  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY3  82 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  83  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  83  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY3  83 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  84  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  84  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY3  84  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  85  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  85  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  85  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  86  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  86 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  86  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1  87  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  87 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  87  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  88  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY2  88  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY3  88  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1  89  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  89  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY3  89  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  90 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  90  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY3  90  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  91 -1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  91  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY3  91  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  92  1.000000  0.000000  0.000000      116.17350            
REMARK 290   SMTRY2  92  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY3  92  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY1  93  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY2  93  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  93 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  94  0.000000  0.000000  1.000000      116.17350            
REMARK 290   SMTRY2  94  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  94  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  95  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY2  95  0.000000  1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  95  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY1  96  0.000000  0.000000 -1.000000      116.17350            
REMARK 290   SMTRY2  96  0.000000 -1.000000  0.000000      116.17350            
REMARK 290   SMTRY3  96 -1.000000  0.000000  0.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 4670 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 44490 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -32.6 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT1   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 350   BIOMT2   2  0.000000  0.000000  1.000000        0.00000            
REMARK 350   BIOMT3   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT1   3  0.000000  0.000000 -1.000000        0.00000            
REMARK 350   BIOMT2   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT3   3  0.000000  1.000000  0.000000        0.00000            
REMARK 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH A2013   LIES ON A SPECIAL POSITION.                         
REMARK 375      HOH A2014   LIES ON A SPECIAL POSITION.                         
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     GLU A    78                                                      
REMARK 465     THR A    79                                                      
REMARK 465     GLY A    80                                                      
REMARK 465     SER A    81                                                      
REMARK 465     ALA A    82                                                      
REMARK 465     LEU A   351                                                      
REMARK 465     THR A   352                                                      
REMARK 465     GLY A   353                                                      
REMARK 465     GLN A   354                                                      
REMARK 465     ASP A   420                                                      
REMARK 465     SER A   421                                                      
REMARK 465     HIS A   422                                                      
REMARK 465     LYS A   423                                                      
REMARK 465     ALA A   424                                                      
REMARK 465     SER A   425                                                      
REMARK 465     LYS A   426                                                      
REMARK 465     THR A   427                                                      
REMARK 465     PRO A   428                                                      
REMARK 465     LEU A   429                                                      
REMARK 465     GLY A   452                                                      
REMARK 465     THR A   453                                                      
REMARK 465     LYS A   454                                                      
REMARK 465     HIS A   455                                                      
REMARK 465     HIS A   456                                                      
REMARK 465     HIS A   457                                                      
REMARK 465     HIS A   458                                                      
REMARK 465     HIS A   459                                                      
REMARK 465     HIS A   460                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    CYS A 285   CA  -  CB  -  SG  ANGL. DEV. =  -7.1 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    TRP A 128     -141.60     56.10                                   
REMARK 500    MET A 143       46.97   -149.48                                   
REMARK 500    SER A 148      148.42   -175.44                                   
REMARK 500    ARG A 218       22.99   -141.55                                   
REMARK 500    SER A 232     -131.34     62.65                                   
REMARK 500    VAL A 280      -60.94   -125.92                                   
REMARK 500    GLN A 336      114.58   -166.01                                   
REMARK 500    ASN A 348       41.85     70.38                                   
REMARK 500    GLU A 390      157.60     64.66                                   
REMARK 500    ILE A 391      -36.90   -159.03                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A1453                 
REMARK 800                                                                      
REMARK 800 SITE_IDENTIFIER: AC2                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR MONO-SACCHARIDE                   
REMARK 800  NAG A1452  BOUND TO ASN A  96                                       
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4UYU   RELATED DB: PDB                                   
REMARK 900  STRUCTURE OF A WNT SIGNAL REGULATOR - IODIDE COMPLEX                
REMARK 900  AT 2.3A                                                             
REMARK 900 RELATED ID: 4UYW   RELATED DB: PDB                                   
REMARK 900  STRUCTURE OF A WNT SIGNAL REGULATOR - CRYSTAL FORM I                
REMARK 900   - LIGAND 1 - 1.7A                                                  
REMARK 900 RELATED ID: 4UYZ   RELATED DB: PDB                                   
REMARK 900  STRUCTURE OF A WNT SIGNAL REGULATOR - CRYSTAL FORM II               
REMARK 900   - 2.8A                                                             
REMARK 900 RELATED ID: 4UZ1   RELATED DB: PDB                                   
REMARK 900  STRUCTURE OF A WNT SIGNAL REGULATOR - CRYSTAL FORM III              
REMARK 900   - 1.4A                                                             
REMARK 900 RELATED ID: 4UZ5   RELATED DB: PDB                                   
REMARK 900  STRUCTURE OF A WNT SIGNAL REGULATOR - CRYSTAL FORM IV               
REMARK 900   - 2.1A                                                             
REMARK 900 RELATED ID: 4UZ6   RELATED DB: PDB                                   
REMARK 900  STRUCTURE OF A WNT SIGNAL REGULATOR - CRYSTAL FORM V                
REMARK 900   - 1.9A                                                             
REMARK 900 RELATED ID: 4UZ7   RELATED DB: PDB                                   
REMARK 900  STRUCTURE OF A WNT SIGNAL REGULATOR - CRYSTAL FORM VI               
REMARK 900   - 2.2A                                                             
REMARK 900 RELATED ID: 4UZ9   RELATED DB: PDB                                   
REMARK 900  STRUCTURE OF A WNT SIGNAL REGULATOR - CRYSTAL FORM VII              
REMARK 900   - 2.2A                                                             
DBREF  4UZA A   80   452  UNP    Q6P988   NOTUM_HUMAN     80    452             
SEQADV 4UZA GLU A   78  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA THR A   79  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA THR A  453  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA LYS A  454  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA HIS A  455  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA HIS A  456  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA HIS A  457  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA HIS A  458  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA HIS A  459  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA HIS A  460  UNP  Q6P988              EXPRESSION TAG                 
SEQADV 4UZA SER A  144  UNP  Q6P988    ARG   144 ENGINEERED MUTATION            
SEQADV 4UZA SER A  145  UNP  Q6P988    ARG   145 ENGINEERED MUTATION            
SEQADV 4UZA SER A  330  UNP  Q6P988    CYS   330 ENGINEERED MUTATION            
SEQRES   1 A  383  GLU THR GLY SER ALA GLN GLN LEU ASN GLU ASP LEU ARG          
SEQRES   2 A  383  LEU HIS LEU LEU LEU ASN THR SER VAL THR CYS ASN ASP          
SEQRES   3 A  383  GLY SER PRO ALA GLY TYR TYR LEU LYS GLU SER ARG GLY          
SEQRES   4 A  383  SER ARG ARG TRP LEU LEU PHE LEU GLU GLY GLY TRP TYR          
SEQRES   5 A  383  CYS PHE ASN ARG GLU ASN CYS ASP SER ARG TYR ASP THR          
SEQRES   6 A  383  MET SER SER LEU MET SER SER ARG ASP TRP PRO ARG THR          
SEQRES   7 A  383  ARG THR GLY THR GLY ILE LEU SER SER GLN PRO GLU GLU          
SEQRES   8 A  383  ASN PRO TYR TRP TRP ASN ALA ASN MET VAL PHE ILE PRO          
SEQRES   9 A  383  TYR CYS SER SER ASP VAL TRP SER GLY ALA SER SER LYS          
SEQRES  10 A  383  SER GLU LYS ASN GLU TYR ALA PHE MET GLY ALA LEU ILE          
SEQRES  11 A  383  ILE GLN GLU VAL VAL ARG GLU LEU LEU GLY ARG GLY LEU          
SEQRES  12 A  383  SER GLY ALA LYS VAL LEU LEU LEU ALA GLY SER SER ALA          
SEQRES  13 A  383  GLY GLY THR GLY VAL LEU LEU ASN VAL ASP ARG VAL ALA          
SEQRES  14 A  383  GLU GLN LEU GLU LYS LEU GLY TYR PRO ALA ILE GLN VAL          
SEQRES  15 A  383  ARG GLY LEU ALA ASP SER GLY TRP PHE LEU ASP ASN LYS          
SEQRES  16 A  383  GLN TYR ARG HIS THR ASP CYS VAL ASP THR ILE THR CYS          
SEQRES  17 A  383  ALA PRO THR GLU ALA ILE ARG ARG GLY ILE ARG TYR TRP          
SEQRES  18 A  383  ASN GLY VAL VAL PRO GLU ARG CYS ARG ARG GLN PHE GLN          
SEQRES  19 A  383  GLU GLY GLU GLU TRP ASN CYS PHE PHE GLY TYR LYS VAL          
SEQRES  20 A  383  TYR PRO THR LEU ARG SER PRO VAL PHE VAL VAL GLN TRP          
SEQRES  21 A  383  LEU PHE ASP GLU ALA GLN LEU THR VAL ASP ASN VAL HIS          
SEQRES  22 A  383  LEU THR GLY GLN PRO VAL GLN GLU GLY LEU ARG LEU TYR          
SEQRES  23 A  383  ILE GLN ASN LEU GLY ARG GLU LEU ARG HIS THR LEU LYS          
SEQRES  24 A  383  ASP VAL PRO ALA SER PHE ALA PRO ALA CYS LEU SER HIS          
SEQRES  25 A  383  GLU ILE ILE ILE ARG SER HIS TRP THR ASP VAL GLN VAL          
SEQRES  26 A  383  LYS GLY THR SER LEU PRO ARG ALA LEU HIS CYS TRP ASP          
SEQRES  27 A  383  ARG SER LEU HIS ASP SER HIS LYS ALA SER LYS THR PRO          
SEQRES  28 A  383  LEU LYS GLY CYS PRO VAL HIS LEU VAL ASP SER CYS PRO          
SEQRES  29 A  383  TRP PRO HIS CYS ASN PRO SER CYS PRO THR GLY THR LYS          
SEQRES  30 A  383  HIS HIS HIS HIS HIS HIS                                      
HET    NAG  A1452      14                                                       
HET    PO4  A1453       5                                                       
HETNAM     PO4 PHOSPHATE ION                                                    
HETNAM     NAG N-ACETYL-D-GLUCOSAMINE                                           
FORMUL   2  PO4    O4 P 3-                                                      
FORMUL   3  NAG    C8 H15 N O6                                                  
FORMUL   4  HOH   *23(H2 O)                                                     
HELIX    1   1 GLN A   84  ASP A   88  5                                   5    
HELIX    2   2 ASN A  132  SER A  144  1                                  13    
HELIX    3   3 SER A  145  MET A  147  5                                   3    
HELIX    4   4 THR A  159  SER A  163  5                                   5    
HELIX    5   5 MET A  203  GLY A  217  1                                  15    
HELIX    6   6 ARG A  218  ALA A  223  5                                   6    
HELIX    7   7 SER A  232  LEU A  252  1                                  21    
HELIX    8   8 ALA A  286  ASN A  299  1                                  14    
HELIX    9   9 PRO A  303  ARG A  308  1                                   6    
HELIX   10  10 GLU A  314  PHE A  319  5                                   6    
HELIX   11  11 PHE A  320  TYR A  325  1                                   6    
HELIX   12  12 PRO A  326  LEU A  328  5                                   3    
HELIX   13  13 GLU A  341  ASP A  347  1                                   7    
HELIX   14  14 GLN A  357  LYS A  376  1                                  20    
HELIX   15  15 LEU A  407  SER A  417  1                                  11    
SHEET    1  AA10 THR A 155  ARG A 156  0                                        
SHEET    2  AA10 LEU A  89  LEU A  93 -1  O  LEU A  89   N  ARG A 156           
SHEET    3  AA10 GLY A 108  LYS A 112 -1  O  TYR A 109   N  HIS A  92           
SHEET    4  AA10 ASN A 176  ILE A 180 -1  O  MET A 177   N  LYS A 112           
SHEET    5  AA10 ARG A 119  LEU A 124  1  O  ARG A 119   N  ASN A 176           
SHEET    6  AA10 VAL A 225  SER A 231  1  O  VAL A 225   N  TRP A 120           
SHEET    7  AA10 GLN A 258  ASP A 264  1  O  GLN A 258   N  LEU A 226           
SHEET    8  AA10 VAL A 332  VAL A 335  1  O  PHE A 333   N  ALA A 263           
SHEET    9  AA10 SER A 381  ALA A 383  1  N  PHE A 382   O  VAL A 334           
SHEET   10  AA10 HIS A 435  VAL A 437  1  O  LEU A 436   N  ALA A 383           
SHEET    1  AB 2 PHE A 339  ASP A 340  0                                        
SHEET    2  AB 2 LEU A 387  SER A 388  0                                        
SHEET    1  AC 2 GLN A 401  VAL A 402  0                                        
SHEET    2  AC 2 THR A 405  SER A 406 -1  O  THR A 405   N  VAL A 402           
SSBOND   1 CYS A  101    CYS A  183                          1555   1555  2.13  
SSBOND   2 CYS A  130    CYS A  136                          1555   1555  2.04  
SSBOND   3 CYS A  279    CYS A  285                          1555   1555  2.01  
SSBOND   4 CYS A  306    CYS A  318                          1555   1555  2.08  
SSBOND   5 CYS A  386    CYS A  449                          1555   1555  2.03  
SSBOND   6 CYS A  413    CYS A  432                          1555   1555  2.04  
SSBOND   7 CYS A  440    CYS A  445                          1555   1555  2.07  
LINK         ND2 ASN A  96                 C1  NAG A1452     1555   1555  1.47  
SITE     1 AC1  6 LYS A 403  ARG A 409  HIS A 412  ARG A 416                    
SITE     2 AC1  6 CYS A 432  SER A 439                                          
SITE     1 AC2  2 ASN A  96  ARG A 213                                          
CRYST1  232.347  232.347  232.347  90.00  90.00  90.00 F 4 3 2      96          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.004304  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.004304  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.004304        0.00000                         
TER    2846      THR A 451                                                      
MASTER      756    0    2   15   14    0    3    6 2887    1   34   30          
END                                                                             

Send your questions or comments to :
Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
For technical information about these pages see:
ESTHER Home Page and ACEDB Home Page
AcePerl Lincoln Stein Home Page
webmaster

Acknowledgements and disclaimer