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Database: PDB
Entry: 2VQC
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HEADER    DNA BINDING PROTEIN                     12-MAR-08   2VQC              
TITLE     STRUCTURE OF A DNA BINDING WINGED-HELIX PROTEIN, F-112, FROM          
TITLE    2 SULFOLOBUS SPINDLE-SHAPED VIRUS 1.                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HYPOTHETICAL 13.2 KDA PROTEIN;                             
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: RESIDUES 2-112;                                            
COMPND   5 SYNONYM: ORF F-112, F-112;                                           
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SULFOLOBUS VIRUS-LIKE PARTICLE SSV1;            
SOURCE   3 ORGANISM_TAXID: 244589;                                              
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: B834;                                      
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PEXP14- SSV1 F112                         
KEYWDS    SSV, WINGED-HELIX, CRENARCHAEAL, DNA-BINDING PROTEIN, THERMOPHILIC    
KEYWDS   2 PROTEIN, SULFOLOBUS SPINDLE VIRUS, DNA BINDING PROTEIN               
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    S.K.MENON,P.KRAFT,G.J.CORN,B.WIEDENHEFT,M.J.YOUNG,C.M.LAWRENCE        
REVDAT   5   08-MAY-19 2VQC    1       REMARK LINK                              
REVDAT   4   13-JUL-11 2VQC    1       VERSN                                    
REVDAT   3   24-FEB-09 2VQC    1       VERSN                                    
REVDAT   2   17-JUN-08 2VQC    1       AUTHOR JRNL                              
REVDAT   1   06-MAY-08 2VQC    0                                                
SPRSDE     06-MAY-08 2VQC      2CMX                                             
JRNL        AUTH   S.K.MENON,W.S.MAATY,G.J.CORN,S.C.KWOK,B.J.EILERS,P.KRAFT,    
JRNL        AUTH 2 E.GILLITZER,M.J.YOUNG,B.BOTHNER,C.M.LAWRENCE                 
JRNL        TITL   CYSTEINE USAGE IN SULFOLOBUS SPINDLE-SHAPED VIRUS 1 AND      
JRNL        TITL 2 EXTENSION TO HYPERTHERMOPHILIC VIRUSES IN GENERAL.           
JRNL        REF    VIROLOGY                      V. 376   270 2008              
JRNL        REFN                   ISSN 0042-6822                               
JRNL        PMID   18471851                                                     
JRNL        DOI    10.1016/J.VIROL.2008.03.026                                  
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.30 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC 5.2.0005                                      
REMARK   3   AUTHORS     : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,              
REMARK   3               : 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) : 2.30                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 25.53                          
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.9                           
REMARK   3   NUMBER OF REFLECTIONS             : 4133                           
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) : 0.175                           
REMARK   3   R VALUE            (WORKING SET) : 0.173                           
REMARK   3   FREE R VALUE                     : 0.199                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.400                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 235                             
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) : 2.30                         
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.36                         
REMARK   3   REFLECTION IN BIN     (WORKING SET) : 296                          
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL                         
REMARK   3   BIN R VALUE           (WORKING SET) : 0.1910                       
REMARK   3   BIN FREE R VALUE SET COUNT          : 17                           
REMARK   3   BIN FREE R VALUE                    : 0.3540                       
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 582                                     
REMARK   3   NUCLEIC ACID ATOMS       : 0                                       
REMARK   3   HETEROGEN ATOMS          : 0                                       
REMARK   3   SOLVENT ATOMS            : 25                                      
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   B VALUE TYPE : LIKELY RESIDUAL                                     
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 23.47                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : 0.01000                                              
REMARK   3    B22 (A**2) : 0.01000                                              
REMARK   3    B33 (A**2) : -0.02000                                             
REMARK   3    B12 (A**2) : 0.01000                                              
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
REMARK   3                                                                      
REMARK   3  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): 0.242         
REMARK   3   ESU BASED ON FREE R VALUE                       (A): 0.179         
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): 0.121         
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 10.361        
REMARK   3                                                                      
REMARK   3 CORRELATION COEFFICIENTS.                                            
REMARK   3   CORRELATION COEFFICIENT FO-FC      : 0.948                         
REMARK   3   CORRELATION COEFFICIENT FO-FC FREE : 0.943                         
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES        COUNT    RMS    WEIGHT      
REMARK   3   BOND LENGTHS REFINED ATOMS        (A):   593 ; 0.007 ; 0.022       
REMARK   3   BOND LENGTHS OTHERS               (A):   548 ; 0.001 ; 0.020       
REMARK   3   BOND ANGLES REFINED ATOMS   (DEGREES):   796 ; 0.923 ; 1.974       
REMARK   3   BOND ANGLES OTHERS          (DEGREES):  1287 ; 0.682 ; 3.000       
REMARK   3   TORSION ANGLES, PERIOD 1    (DEGREES):    69 ; 4.165 ; 5.000       
REMARK   3   TORSION ANGLES, PERIOD 2    (DEGREES):    27 ;30.633 ;24.815       
REMARK   3   TORSION ANGLES, PERIOD 3    (DEGREES):   123 ;12.020 ;15.000       
REMARK   3   TORSION ANGLES, PERIOD 4    (DEGREES):     3 ;17.348 ;15.000       
REMARK   3   CHIRAL-CENTER RESTRAINTS       (A**3):    88 ; 0.052 ; 0.200       
REMARK   3   GENERAL PLANES REFINED ATOMS      (A):   626 ; 0.002 ; 0.020       
REMARK   3   GENERAL PLANES OTHERS             (A):   112 ; 0.001 ; 0.020       
REMARK   3   NON-BONDED CONTACTS REFINED ATOMS (A):   112 ; 0.178 ; 0.200       
REMARK   3   NON-BONDED CONTACTS OTHERS        (A):   519 ; 0.148 ; 0.200       
REMARK   3   NON-BONDED TORSION REFINED ATOMS  (A):   288 ; 0.166 ; 0.200       
REMARK   3   NON-BONDED TORSION OTHERS         (A):   315 ; 0.080 ; 0.200       
REMARK   3   H-BOND (X...Y) REFINED ATOMS      (A):    20 ; 0.121 ; 0.200       
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):     1 ; 0.625 ; 0.200       
REMARK   3   SYMMETRY VDW OTHERS               (A):    24 ; 0.129 ; 0.200       
REMARK   3   SYMMETRY H-BOND REFINED ATOMS     (A):     4 ; 0.115 ; 0.200       
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):   460 ; 0.306 ; 1.500       
REMARK   3   MAIN-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   MAIN-CHAIN ANGLE REFINED ATOMS (A**2):   568 ; 0.387 ; 2.000       
REMARK   3   MAIN-CHAIN ANGLE OTHER ATOMS   (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN BOND REFINED ATOMS  (A**2):   288 ; 0.667 ; 3.000       
REMARK   3   SIDE-CHAIN BOND OTHER ATOMS    (A**2):  NULL ;  NULL ;  NULL       
REMARK   3   SIDE-CHAIN ANGLE REFINED ATOMS (A**2):   228 ; 0.986 ; 4.500       
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  : 15                                         
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     4        A     8                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.0594  27.6972  10.0265              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0180 T22:   0.0916                                     
REMARK   3      T33:   0.0986 T12:  -0.0331                                     
REMARK   3      T13:  -0.0629 T23:   0.0351                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  20.4345 L22:  57.4117                                     
REMARK   3      L33:  22.7477 L12:   7.8620                                     
REMARK   3      L13:   8.3219 L23:   8.2468                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.3180 S12:   0.0004 S13:  -0.3899                       
REMARK   3      S21:  -0.4792 S22:  -0.4181 S23:   2.4629                       
REMARK   3      S31:   1.1153 S32:  -0.6488 S33:   0.1001                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 2                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A     9        A    12                          
REMARK   3    ORIGIN FOR THE GROUP (A):   4.9289  31.1551  14.0880              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0087 T22:   0.1576                                     
REMARK   3      T33:   0.0117 T12:   0.0602                                     
REMARK   3      T13:   0.0943 T23:   0.1364                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  42.6762 L22:  49.7622                                     
REMARK   3      L33:  22.6668 L12:  30.7014                                     
REMARK   3      L13:  19.1788 L23:  19.8412                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0935 S12:  -2.3763 S13:  -0.6202                       
REMARK   3      S21:   0.7836 S22:  -0.0682 S23:   0.0833                       
REMARK   3      S31:   0.7768 S32:  -1.3974 S33:   0.1617                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 3                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    13        A    16                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.9025  35.6217  16.0181              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1193 T22:   0.0550                                     
REMARK   3      T33:  -0.0365 T12:   0.0207                                     
REMARK   3      T13:   0.0534 T23:   0.0492                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  18.6670 L22:  42.4153                                     
REMARK   3      L33:   9.4196 L12:  -9.9397                                     
REMARK   3      L13:   9.9288 L23:   7.1081                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1595 S12:  -0.8726 S13:   0.1352                       
REMARK   3      S21:   1.4842 S22:   0.4268 S23:   0.1518                       
REMARK   3      S31:   0.4233 S32:   0.2800 S33:  -0.2673                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 4                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    17        A    20                          
REMARK   3    ORIGIN FOR THE GROUP (A):  14.7969  39.0837  17.8849              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1289 T22:   0.1427                                     
REMARK   3      T33:   0.1977 T12:   0.1110                                     
REMARK   3      T13:  -0.1140 T23:   0.0184                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  25.6640 L22:  45.0534                                     
REMARK   3      L33:  29.1903 L12:   9.6917                                     
REMARK   3      L13:   5.2962 L23:  13.6446                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.6705 S12:  -1.4059 S13:  -0.5206                       
REMARK   3      S21:   2.2818 S22:   1.1624 S23:  -0.6554                       
REMARK   3      S31:  -0.6024 S32:   0.7198 S33:  -0.4919                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 5                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    21        A    25                          
REMARK   3    ORIGIN FOR THE GROUP (A):  17.5521  40.5329  10.8135              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1127 T22:   0.2440                                     
REMARK   3      T33:   0.2503 T12:  -0.0321                                     
REMARK   3      T13:   0.0178 T23:  -0.0200                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   0.7557 L22:  12.3989                                     
REMARK   3      L33:  39.3579 L12:   2.0734                                     
REMARK   3      L13:   4.6449 L23:  21.2602                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.2429 S12:   0.3183 S13:   0.3161                       
REMARK   3      S21:  -0.3124 S22:   0.6423 S23:  -0.9061                       
REMARK   3      S31:  -0.4986 S32:   2.1921 S33:  -0.3994                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 6                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    26        A    30                          
REMARK   3    ORIGIN FOR THE GROUP (A):  16.0760  33.3608   5.1962              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0802 T22:   0.1210                                     
REMARK   3      T33:  -0.0500 T12:   0.0126                                     
REMARK   3      T13:   0.0114 T23:   0.0136                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  12.5992 L22:  27.5463                                     
REMARK   3      L33:   6.6279 L12:  -1.7452                                     
REMARK   3      L13:  -1.2335 L23: -13.1586                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.0625 S12:   0.5700 S13:   0.7594                       
REMARK   3      S21:  -0.5631 S22:  -0.1746 S23:  -0.3082                       
REMARK   3      S31:   0.2189 S32:   0.1403 S33:   0.1121                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 7                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    31        A    35                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.2425  26.7090   8.7057              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0226 T22:   0.0234                                     
REMARK   3      T33:  -0.0983 T12:   0.0173                                     
REMARK   3      T13:   0.0420 T23:  -0.0005                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  12.2454 L22:  26.7784                                     
REMARK   3      L33:  14.7917 L12:   3.0990                                     
REMARK   3      L13:   2.7234 L23:   9.7996                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.2159 S12:  -0.4284 S13:  -0.3337                       
REMARK   3      S21:   0.6233 S22:   0.1374 S23:  -0.9352                       
REMARK   3      S31:   0.9100 S32:   0.1413 S33:  -0.3533                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 8                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    36        A    39                          
REMARK   3    ORIGIN FOR THE GROUP (A):  10.2410  27.8377   0.0199              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0009 T22:  -0.0072                                     
REMARK   3      T33:  -0.0375 T12:   0.0007                                     
REMARK   3      T13:  -0.0503 T23:  -0.0159                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  14.7172 L22:  29.8080                                     
REMARK   3      L33:  30.2324 L12: -19.6425                                     
REMARK   3      L13:  -9.0038 L23:   2.5934                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4127 S12:  -0.0665 S13:  -0.9424                       
REMARK   3      S21:   0.0726 S22:  -0.6991 S23:   0.9689                       
REMARK   3      S31:  -0.2028 S32:  -0.1293 S33:   0.2864                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 9                                                      
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    40        A    43                          
REMARK   3    ORIGIN FOR THE GROUP (A):   7.7063  32.3752   2.7628              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0217 T22:  -0.0108                                     
REMARK   3      T33:  -0.0805 T12:   0.0169                                     
REMARK   3      T13:  -0.0065 T23:   0.0377                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  27.9210 L22:  24.9401                                     
REMARK   3      L33:  14.6935 L12: -12.4986                                     
REMARK   3      L13:   1.5074 L23:   6.2601                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1603 S12:   0.9271 S13:   0.7008                       
REMARK   3      S21:  -1.0581 S22:  -0.1315 S23:   0.1031                       
REMARK   3      S31:   0.2106 S32:   0.0223 S33:   0.2918                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 10                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    44        A    47                          
REMARK   3    ORIGIN FOR THE GROUP (A):   5.5713  36.7220   5.6537              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0086 T22:  -0.0895                                     
REMARK   3      T33:  -0.0381 T12:   0.0639                                     
REMARK   3      T13:  -0.0103 T23:  -0.0070                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  36.2346 L22:  28.3510                                     
REMARK   3      L33:  34.4466 L12:   0.6387                                     
REMARK   3      L13: -12.4086 L23:  -8.5056                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.0589 S12:   1.0795 S13:  -0.8374                       
REMARK   3      S21:  -1.5818 S22:  -0.3227 S23:   0.5566                       
REMARK   3      S31:   0.5266 S32:  -0.6922 S33:   0.3816                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 11                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    48        A    51                          
REMARK   3    ORIGIN FOR THE GROUP (A):   3.8180  41.4088   9.8478              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.0343 T22:   0.0102                                     
REMARK   3      T33:   0.0966 T12:   0.0218                                     
REMARK   3      T13:   0.0039 T23:   0.0294                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  21.2172 L22:  33.4900                                     
REMARK   3      L33:  32.8285 L12:   9.8800                                     
REMARK   3      L13:  -5.0360 L23:  27.8850                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.9129 S12:   0.3685 S13:   0.2360                       
REMARK   3      S21:  -1.1077 S22:   0.7648 S23:  -0.7107                       
REMARK   3      S31:  -1.5369 S32:   1.1084 S33:   0.1481                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 12                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    52        A    56                          
REMARK   3    ORIGIN FOR THE GROUP (A):   2.5465  45.9648  14.2541              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.0756 T22:  -0.1293                                     
REMARK   3      T33:   0.0565 T12:   0.0713                                     
REMARK   3      T13:   0.0763 T23:   0.0107                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  30.3591 L22:  45.7475                                     
REMARK   3      L33:  18.4230 L12:  18.6259                                     
REMARK   3      L13:  10.3914 L23:  14.5771                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.4844 S12:  -0.5055 S13:   0.7896                       
REMARK   3      S21:   0.7023 S22:  -0.9185 S23:   1.3741                       
REMARK   3      S31:   0.4961 S32:   0.0473 S33:   0.4341                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 13                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    57        A    61                          
REMARK   3    ORIGIN FOR THE GROUP (A):   9.9821  47.3610  10.5109              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.1337 T22:  -0.0878                                     
REMARK   3      T33:   0.2520 T12:  -0.0062                                     
REMARK   3      T13:  -0.0111 T23:  -0.0247                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  17.8007 L22:   3.0456                                     
REMARK   3      L33:  82.8492 L12:  -7.0908                                     
REMARK   3      L13:  -7.1586 L23:  -1.3530                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.5281 S12:   0.5713 S13:  -0.0682                       
REMARK   3      S21:   0.6048 S22:  -0.2263 S23:  -1.0689                       
REMARK   3      S31:  -0.6281 S32:   0.6828 S33:  -0.3018                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 14                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    62        A    66                          
REMARK   3    ORIGIN FOR THE GROUP (A):  15.5234  44.4157  -1.7774              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:   0.9271 T22:   0.6409                                     
REMARK   3      T33:   0.3275 T12:  -0.0475                                     
REMARK   3      T13:   0.2399 T23:   0.4089                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:  43.0197 L22:  88.8264                                     
REMARK   3      L33:  34.9574 L12: -17.5736                                     
REMARK   3      L13:  30.1035 L23:  21.3815                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:  -0.1969 S12:   3.3339 S13:   1.0185                       
REMARK   3      S21:  -3.0548 S22:  -0.9842 S23:   0.6070                       
REMARK   3      S31:  -2.0445 S32:   2.3047 S33:   1.1811                       
REMARK   3                                                                      
REMARK   3   TLS GROUP : 15                                                     
REMARK   3    NUMBER OF COMPONENTS GROUP : 1                                    
REMARK   3    COMPONENTS        C SSSEQI   TO  C SSSEQI                         
REMARK   3    RESIDUE RANGE :   A    67        A    72                          
REMARK   3    ORIGIN FOR THE GROUP (A):  12.9680  45.0751  10.8772              
REMARK   3    T TENSOR                                                          
REMARK   3      T11:  -0.1565 T22:  -0.1949                                     
REMARK   3      T33:   0.0466 T12:   0.0205                                     
REMARK   3      T13:  -0.0144 T23:  -0.0072                                     
REMARK   3    L TENSOR                                                          
REMARK   3      L11:   7.5185 L22:  16.0505                                     
REMARK   3      L33:  42.6135 L12:  -1.5928                                     
REMARK   3      L13:  -8.2568 L23:  13.7661                                     
REMARK   3    S TENSOR                                                          
REMARK   3      S11:   0.1094 S12:   0.1586 S13:   0.9628                       
REMARK   3      S21:  -0.6429 S22:   0.0033 S23:  -0.4148                       
REMARK   3      S31:  -0.5530 S32:   1.0385 S33:  -0.1127                       
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED : BABINET MODEL WITH 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. RESIDUES 1-3 AND 74-112 ARE DISORDERED                   
REMARK   4                                                                      
REMARK   4 2VQC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 12-MAR-08.                  
REMARK 100 THE DEPOSITION ID IS D_1290035673.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-APR-05                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 6.0                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRL                               
REMARK 200  BEAMLINE                       : BL9-2                              
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.891940, 0.979180, 0.979320       
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : MIRROR                             
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             
REMARK 200  DATA SCALING SOFTWARE          : SCALA                              
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 4411                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.300                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 3.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : 7.700                              
REMARK 200  R MERGE                    (I) : 0.07000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 20.6000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.30                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.36                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.30                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.11000                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 12.30                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: MAD                                            
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD                          
REMARK 200 SOFTWARE USED: SOLVE, RESOLVE                                        
REMARK 200 STARTING MODEL: NONE                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NONE                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 31.90                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.80                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: HANGING DROP VAPOR DIFFUSION IN 0.1M     
REMARK 280  MES (PH 6.0). QIUCK SOAK IN ML CONTAINING 25% GLYCEROL AS A         
REMARK 280  CRYOPROTECTANT., VAPOR DIFFUSION, HANGING DROP                      
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3                              
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z                                                
REMARK 290       3555   -X+Y,-X,Z                                               
REMARK 290       4555   X+2/3,Y+1/3,Z+1/3                                       
REMARK 290       5555   -Y+2/3,X-Y+1/3,Z+1/3                                    
REMARK 290       6555   -X+Y+2/3,-X+1/3,Z+1/3                                   
REMARK 290       7555   X+1/3,Y+2/3,Z+2/3                                       
REMARK 290       8555   -Y+1/3,X-Y+2/3,Z+2/3                                    
REMARK 290       9555   -X+Y+1/3,-X+2/3,Z+2/3                                   
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  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       43.85800            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       25.32143            
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       11.49700            
REMARK 290   SMTRY1   5 -0.500000 -0.866025  0.000000       43.85800            
REMARK 290   SMTRY2   5  0.866025 -0.500000  0.000000       25.32143            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000       11.49700            
REMARK 290   SMTRY1   6 -0.500000  0.866025  0.000000       43.85800            
REMARK 290   SMTRY2   6 -0.866025 -0.500000  0.000000       25.32143            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       11.49700            
REMARK 290   SMTRY1   7  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       50.64286            
REMARK 290   SMTRY3   7  0.000000  0.000000  1.000000       22.99400            
REMARK 290   SMTRY1   8 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   8  0.866025 -0.500000  0.000000       50.64286            
REMARK 290   SMTRY3   8  0.000000  0.000000  1.000000       22.99400            
REMARK 290   SMTRY1   9 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   9 -0.866025 -0.500000  0.000000       50.64286            
REMARK 290   SMTRY3   9  0.000000  0.000000  1.000000       22.99400            
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: MONOMERIC                  
REMARK 350 SOFTWARE USED: PQS                                                   
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 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     MSE A    -5                                                      
REMARK 465     HIS A    -4                                                      
REMARK 465     HIS A    -3                                                      
REMARK 465     HIS A    -2                                                      
REMARK 465     HIS A    -1                                                      
REMARK 465     HIS A     0                                                      
REMARK 465     HIS A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     GLN A     3                                                      
REMARK 465     GLN A    74                                                      
REMARK 465     GLU A    75                                                      
REMARK 465     GLN A    76                                                      
REMARK 465     LYS A    77                                                      
REMARK 465     GLU A    78                                                      
REMARK 465     GLU A    79                                                      
REMARK 465     GLN A    80                                                      
REMARK 465     LYS A    81                                                      
REMARK 465     GLN A    82                                                      
REMARK 465     GLU A    83                                                      
REMARK 465     GLN A    84                                                      
REMARK 465     THR A    85                                                      
REMARK 465     GLN A    86                                                      
REMARK 465     ASP A    87                                                      
REMARK 465     ASN A    88                                                      
REMARK 465     ILE A    89                                                      
REMARK 465     ALA A    90                                                      
REMARK 465     LYS A    91                                                      
REMARK 465     ILE A    92                                                      
REMARK 465     PHE A    93                                                      
REMARK 465     ASP A    94                                                      
REMARK 465     ALA A    95                                                      
REMARK 465     GLN A    96                                                      
REMARK 465     PRO A    97                                                      
REMARK 465     ALA A    98                                                      
REMARK 465     ASN A    99                                                      
REMARK 465     PHE A   100                                                      
REMARK 465     GLU A   101                                                      
REMARK 465     GLN A   102                                                      
REMARK 465     THR A   103                                                      
REMARK 465     ASP A   104                                                      
REMARK 465     GLN A   105                                                      
REMARK 465     GLY A   106                                                      
REMARK 465     PHE A   107                                                      
REMARK 465     ILE A   108                                                      
REMARK 465     LYS A   109                                                      
REMARK 465     ALA A   110                                                      
REMARK 465     LYS A   111                                                      
REMARK 465     GLN A   112                                                      
DBREF  2VQC A   -5     1  PDB    2VQC     2VQC            -5      1             
DBREF  2VQC A    2   112  UNP    P20220   Y13K_SSV1        2    112             
SEQRES   1 A  118  MSE HIS HIS HIS HIS HIS HIS ALA GLN THR LEU ASN SER          
SEQRES   2 A  118  TYR LYS MSE ALA GLU ILE MSE TYR LYS ILE LEU GLU LYS          
SEQRES   3 A  118  LYS GLY GLU LEU THR LEU GLU ASP ILE LEU ALA GLN PHE          
SEQRES   4 A  118  GLU ILE SER VAL PRO SER ALA TYR ASN ILE GLN ARG ALA          
SEQRES   5 A  118  LEU LYS ALA ILE CYS GLU ARG HIS PRO ASP GLU CYS GLU          
SEQRES   6 A  118  VAL GLN TYR LYS ASN ARG LYS THR THR PHE LYS TRP ILE          
SEQRES   7 A  118  LYS GLN GLU GLN LYS GLU GLU GLN LYS GLN GLU GLN THR          
SEQRES   8 A  118  GLN ASP ASN ILE ALA LYS ILE PHE ASP ALA GLN PRO ALA          
SEQRES   9 A  118  ASN PHE GLU GLN THR ASP GLN GLY PHE ILE LYS ALA LYS          
SEQRES  10 A  118  GLN                                                          
MODRES 2VQC MSE A   10  MET  SELENOMETHIONINE                                   
MODRES 2VQC MSE A   14  MET  SELENOMETHIONINE                                   
HET    MSE  A  10       8                                                       
HET    MSE  A  14       8                                                       
HETNAM     MSE SELENOMETHIONINE                                                 
FORMUL   1  MSE    2(C5 H11 N O2 SE)                                            
FORMUL   2  HOH   *25(H2 O)                                                     
HELIX    1   1 ASN A    6  GLY A   22  1                                  17    
HELIX    2   2 THR A   25  GLU A   34  1                                  10    
HELIX    3   3 SER A   36  HIS A   54  1                                  19    
SHEET    1  AA 3 GLU A  23  LEU A  24  0                                        
SHEET    2  AA 3 THR A  67  TRP A  71 -1  O  PHE A  69   N  LEU A  24           
SHEET    3  AA 3 CYS A  58  TYR A  62 -1  O  GLU A  59   N  LYS A  70           
SSBOND   1 CYS A   51    CYS A   58                          1555   1555  2.04  
LINK         C   LYS A   9                 N   MSE A  10     1555   1555  1.33  
LINK         C   MSE A  10                 N   ALA A  11     1555   1555  1.33  
LINK         C   ILE A  13                 N   MSE A  14     1555   1555  1.33  
LINK         C   MSE A  14                 N   TYR A  15     1555   1555  1.33  
CRYST1   87.716   87.716   34.491  90.00  90.00 120.00 H 3           9          
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      0.011400  0.006582  0.000000        0.00000                         
SCALE2      0.000000  0.013164  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.028993        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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