8XM4
Methionyl-tRNA synthetase from Staphylococcus aureus in complex with chlorhexidine and ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.409, 76.059, 119.046 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.090 - 1.670 |
| R-factor | 0.18945 |
| Rwork | 0.188 |
| R-free | 0.21427 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.291 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.090 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.034 | 0.642 |
| Rmeas | 0.038 | 0.703 |
| Rpim | 0.016 | 0.283 |
| Total number of observations | 384951 | 58515 |
| Number of reflections | 66315 | 9828 |
| <I/σ(I)> | 25.8 | 2.6 |
| Completeness [%] | 96.0 | |
| Redundancy | 5.8 | 6 |
| CC(1/2) | 1.000 | 0.880 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.10 M magnesium acetate, 0.1 M Bis-Tris pH 7.0, 20% w/v PEG 3,350 |
