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 |
