6G59
Structure of the alanine racemase from Staphylococcus aureus in complex with an pyridoxal-6- phosphate derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-15 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.873 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.924, 106.855, 131.023 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.500 - 2.450 |
R-factor | 0.1937 |
Rwork | 0.193 |
R-free | 0.21489 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a3q |
RMSD bond length | 0.009 |
RMSD bond angle | 1.362 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.500 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.200 | 1.000 |
Number of reflections | 44955 | 4399 |
<I/σ(I)> | 6.6 | 1.4 |
Completeness [%] | 100.0 | 99 |
Redundancy | 5 | 4.9 |
CC(1/2) | 0.980 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1M Hepes pH7, 2M NaCl |