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 |
