4BEQ
Structure of Vibrio cholerae broad spectrum racemase double mutant R173A, N174A
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 | 2012-03-11 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.997, 50.990, 76.455 |
| Unit cell angles | 90.00, 100.69, 90.00 |
Refinement procedure
| Resolution | 44.856 - 1.500 |
| R-factor | 0.1491 |
| Rwork | 0.147 |
| R-free | 0.17040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4beu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.297 |
| 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] | 44.800 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.080 | 0.080 |
| Number of reflections | 57665 | |
| <I/σ(I)> | 14.7 | 4.2 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 6.7 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M BIS-TRIS PROPANE PH 7.5, 0.2 M SODIUM BROMIDE, 29% PEG 3350 |
