1F5S:  Phosphoserine Phosphatase

Experimental Details

 

This was taken off of the PDB website on 1F5S:

 

Deposition Date:

15-Jun-2000

Release Date:

20-Jun-2001

Resolution [Å]:

1.80

R-Value:

0.198

Space Group:

P 21 21 2

 

Unit Cell:

dim [Å]:

a

69.00

b

69.96

c

91.24

angles [°]:

alpha

90.00

beta

90.00

gamma

90.00

Polymer Chains:

A, B

Residues:

422

Atoms:

3691

 

Below is a modified form of the 1F5S PDB Header file, which highlights some experimental detail.  Full PDB header file here

 

HEADER    HYDROLASE                               15-JUN-00   1F5S
TITLE     CRYSTAL STRUCTURE OF PHOSPHOSERINE PHOSPHATASE FROM
TITLE    2 METHANOCOCCUS JANNASCHII
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: PHOSPHOSERINE PHOSPHATASE (PSP);
COMPND   3 CHAIN: A, B;
COMPND   4 EC: 3.1.3.3;
COMPND   5 ENGINEERED: YES
SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: METHANOCOCCUS JANNASCHII;
SOURCE   3 STRAIN: MJ1594;
SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA
KEYWDS    NAD(P)-BINDING ROSSMANN FOLD, FOUR HELIX BUNDLE, BETA-HAIR
KEYWDS   2 PIN, HAD FAMILY HYDROLASE
EXPDTA    X-RAY DIFFRACTION
AUTHOR    W.WANG,R.KIM,J.JANCARIK,H.YOKOTA,S.H.KIM
REVDAT   2   07-JAN-03 1F5S    1       REMARK
REVDAT   1   20-JUN-01 1F5S    0
JRNL        AUTH   W.WANG,R.KIM,J.JANCARIK,H.YOKOTA,S.H.KIM
JRNL        TITL   CRYSTAL STRUCTURE OF PHOSPHOSERINE PHOSPHATASE
JRNL        TITL 2 FROM METHANOCOCCUS JANNASCHII, A HYPERTHERMOPHILE,
JRNL        TITL 3 AT 1.8 A RESOLUTION.
JRNL        REF    STRUCTURE                     V.   9    65 2001
JRNL        REFN   ASTM STRUE6  UK ISSN 0969-2126
 
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
REMARK 200  DATE OF DATA COLLECTION        : 24-APR-2000
REMARK 200  TEMPERATURE           (KELVIN) : 100.0
REMARK 200  PH                             : 4.50
REMARK 200  NUMBER OF CRYSTALS USED        : 1
REMARK 200
REMARK 200  SYNCHROTRON              (Y/N) : Y
REMARK 200  RADIATION SOURCE               : SSRL
REMARK 200  BEAMLINE                       : 1-5
REMARK 200  X-RAY GENERATOR MODEL          : NULL
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
REMARK 200  WAVELENGTH OR RANGE        (A) : 3
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 : DENZO
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK
REMARK 200
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 71908
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800
REMARK 200  RESOLUTION RANGE LOW       (A) : 30.000
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 48.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200  COMPLETENESS FOR RANGE     (%) : 95.4
REMARK 200  DATA REDUNDANCY                : 3.300
REMARK 200  R MERGE                    (I) : 0.05300
REMARK 200  R SYM                      (I) : NULL
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 22.4000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.83
REMARK 200  COMPLETENESS FOR SHELL     (%) : 78.2
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.50
REMARK 200  R MERGE FOR SHELL          (I) : 0.30500
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: SOLVE
REMARK 200 STARTING MODEL: NULL