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 |
