6Q72
Crystal structure of the alanine racemase from Bacillus subtilis in the presence of only PEG 4000 and Magnesium chloride in the crystallization condition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979260 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.431, 110.526, 88.507 |
| Unit cell angles | 90.00, 116.42, 90.00 |
Refinement procedure
| Resolution | 45.320 - 3.000 |
| R-factor | 0.2303 |
| Rwork | 0.228 |
| R-free | 0.28510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5RIP |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.553 |
| Data reduction software | XDS |
| Data scaling software | APEX 2 |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.610 | 2.990 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.048 | |
| Number of reflections | 35532 | |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 99.5 | |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 290 | 15% PEG 4000, 0.2 MgCl2 |
