7WPI
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-01 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97914 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.492, 80.331, 117.961 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.400 - 1.920 |
| R-factor | 0.2121 |
| Rwork | 0.211 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qre |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.206 |
| Data reduction software | autoPROC |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.400 | 2.030 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.068 | 0.654 |
| Number of reflections | 44015 | 5951 |
| <I/σ(I)> | 15.8 | 3.2 |
| Completeness [%] | 93.0 | |
| Redundancy | 5.9 | |
| CC(1/2) | 0.999 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | sodium cacodylate, PEG 3350 |
