8XM3
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a chlorhexidine derivative and ATP
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 114.780, 114.780, 79.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 62.230 - 1.920 |
| R-factor | 0.1926 |
| Rwork | 0.191 |
| R-free | 0.22075 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.242 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.230 | 2.030 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.081 | 0.848 |
| Rmeas | 0.085 | 0.893 |
| Rpim | 0.027 | 0.278 |
| Total number of observations | 391195 | 49241 |
| Number of reflections | 39246 | 4896 |
| <I/σ(I)> | 20.2 | 2.9 |
| Completeness [%] | 84.7 | |
| Redundancy | 10 | 10.1 |
| CC(1/2) | 0.999 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1 M sodium cacodylate pH 6.7, 16% w/v PEG 3350. |
