6G58
Structure of the alanine racemase from Staphylococcus aureus in complex with a pyridoxal 5' phosphate-derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.543, 106.767, 130.835 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.400 - 1.900 |
R-factor | 0.15224 |
Rwork | 0.151 |
R-free | 0.16971 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a3q |
RMSD bond length | 0.012 |
RMSD bond angle | 1.519 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.400 | 1.960 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.130 | |
Number of reflections | 95389 | 8791 |
<I/σ(I)> | 10.7 | 1.2 |
Completeness [%] | 99.0 | 92 |
Redundancy | 6.7 | 6.4 |
CC(1/2) | 1.000 | 0.450 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1 M Sodium acetate pH 4, 10 %(v/v) MPD |