6G56
Apo-structure of the alanine racemase from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.701, 114.521, 126.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.780 - 2.150 |
R-factor | 0.21871 |
Rwork | 0.217 |
R-free | 0.25386 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a3q |
RMSD bond length | 0.011 |
RMSD bond angle | 1.428 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.780 | 2.200 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.166 | 1.730 |
Rmeas | 0.200 | |
Number of reflections | 51458 | 4390 |
<I/σ(I)> | 6 | 0.4 |
Completeness [%] | 100.0 | 99 |
Redundancy | 5.2 | 5.1 |
CC(1/2) | 0.990 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 2M Ammonium sulphate, 50mM Sodium acetate, pH 6 |