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📄 1cs4.ent

📁 emboss的linux版本的源代码
💻 ENT
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REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL                 REMARK   3                                                                      REMARK   3  PARAMETER FILE  1  : NULL                                           REMARK   3  TOPOLOGY FILE  1   : NULL                                           REMARK   3                                                                      REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      REMARK   4                                                                      REMARK   4 1CS4 COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998                       REMARK 100                                                                      REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-AUG-1999.                REMARK 100 THE RCSB ID CODE IS RCSB009520.                                      REMARK 200                                                                      REMARK 200 EXPERIMENTAL DETAILS                                                 REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  REMARK 200  DATE OF DATA COLLECTION        : 04-JUN-1998                        REMARK 200  TEMPERATURE           (KELVIN) : 100.0                              REMARK 200  PH                             : NULL                               REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  REMARK 200                                                                      REMARK 200  SYNCHROTRON              (Y/N) : Y                                  REMARK 200  RADIATION SOURCE               : CHESS                              REMARK 200  BEAMLINE                       : F1                                 REMARK 200  X-RAY GENERATOR MODEL          : NULL                               REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  REMARK 200  WAVELENGTH OR RANGE        (A) : 0.921                              REMARK 200  MONOCHROMATOR                  : NULL                               REMARK 200  OPTICS                         : NULL                               REMARK 200                                                                      REMARK 200  DETECTOR TYPE                  : CCD                                REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 4                     REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM                             REMARK 200  DATA SCALING SOFTWARE          : SCALA                              REMARK 200                                                                      REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 39407                              REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.500                              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     (%) : 98.4                               REMARK 200  DATA REDUNDANCY                : 3.000                              REMARK 200  R MERGE                    (I) : 0.10900                            REMARK 200  R SYM                      (I) : NULL                               REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 6.1000                             REMARK 200                                                                      REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50                     REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.64                     REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.7                               REMARK 200  DATA REDUNDANCY IN SHELL       : 3.00                               REMARK 200  R MERGE FOR SHELL          (I) : 0.81500                            REMARK 200  R SYM FOR SHELL            (I) : NULL                               REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               REMARK 200                                                                      REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL                         REMARK 200 SOFTWARE USED: CNS                                                   REMARK 200 STARTING MODEL: NULL                                                 REMARK 200                                                                      REMARK 200 REMARK: NULL                                                         REMARK 280                                                                      REMARK 280 CRYSTAL                                                              REMARK 280 SOLVENT CONTENT, VS   (%): NULL                                      REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL                     REMARK 280                                                                      REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN MIXED 1:1 WITH WELL              REMARK 280  SOLUTION OF 7.2-7.5% PEG 8000, 500MM NACL AND 100 MM MES            REMARK 280  BUFFER, VAPOR DIFFUSION, HANGING DROP AT 293 K                      REMARK 290                                                                      REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 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   1/2-X,1/2+Y,-Z                                          REMARK 290       4555   1/2+X,1/2-Y,-Z                                          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       59.25000            REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       67.25000            REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000        0.00000            REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       59.25000            REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       67.25000            REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            REMARK 290                                                                      REMARK 290 REMARK: NULL                                                         REMARK 300                                                                      REMARK 300 BIOMOLECULE: 1                                                       REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT             REMARK 300 WHICH CONSISTS OF 3 CHAIN(S). SEE REMARK 350 FOR                     REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).                REMARK 350                                                                      REMARK 350 GENERATING THE BIOMOLECULE                                           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 APPLY THE FOLLOWING TO CHAINS: A, B, C                               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 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    79   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     MET A   356                                                      REMARK 465     HIS A   357                                                      REMARK 465     HIS A   358                                                      REMARK 465     HIS A   359                                                      REMARK 465     HIS A   360                                                      REMARK 465     HIS A   361                                                      REMARK 465     HIS A   362                                                      REMARK 465     ALA A   363                                                      REMARK 465     MET A   364                                                      REMARK 465     GLU A   365                                                      REMARK 465     MET A   366                                                      REMARK 465     LYS A   367                                                      REMARK 465     ALA A   368                                                      REMARK 465     ASP A   369                                                      REMARK 465     ILE A   370                                                      REMARK 465     ASN A   371                                                      REMARK 465     ALA A   372                                                      REMARK 465     LYS A   373                                                      REMARK 465     GLN A   374                                                      REMARK 465     GLU A   375                                                      REMARK 465     ASP A   376                                                      REMARK 465     ARG A   566                                                      REMARK 465     CYS A   567                                                      REMARK 465     THR A   568                                                      REMARK 465     GLN A   569                                                      REMARK 465     LYS A   570                                                      REMARK 465     ARG A   571                                                      REMARK 465     LYS A   572                                                      REMARK 465     GLU A   573                                                      

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