4BEU
Structure of Vibrio cholerae broad spectrum racemase
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 | 2011-06-16 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 96.621, 51.093, 76.731 |
| Unit cell angles | 90.00, 101.15, 90.00 |
Refinement procedure
| Resolution | 47.399 - 1.150 |
| R-factor | 0.1641 |
| Rwork | 0.163 |
| R-free | 0.17310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rjg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.325 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.300 | 1.210 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.050 | 0.210 |
| Number of reflections | 128145 | |
| <I/σ(I)> | 11.5 | 4.3 |
| Completeness [%] | 98.5 | 98.5 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M BIS-TRIS PROPANE PH 7.5, 0.2 M SODIUM IODIDE, 20% PEG 3350 |
