5EVC
Crystal structure of putative aspartate racemase from Salmonella Typhimurium complexed with sulfate and potassium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 65 |
| Unit cell lengths | 85.328, 85.328, 113.997 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.957 - 1.700 |
| R-factor | 0.1368 |
| Rwork | 0.135 |
| R-free | 0.15730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s7z |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.781 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.10pre_2104)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.960 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.073 | 0.794 |
| Number of reflections | 50547 | |
| <I/σ(I)> | 27.65 | 3.428 |
| Completeness [%] | 97.9 | 99.3 |
| Redundancy | 7.6 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M potassium fluoride, 20% PEG 3350 |
