7WPX
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a fragment and ATP
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 | 60.888, 71.376, 120.815 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.450 - 2.400 |
| R-factor | 0.2142 |
| Rwork | 0.213 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7wpk |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.148 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless (0.5.29) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 120.820 | 120.820 | 2.490 |
| High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
| Rmerge | 0.113 | 0.054 | 0.613 |
| Rmeas | 0.124 | 0.059 | 0.674 |
| Rpim | 0.050 | 0.025 | 0.278 |
| Total number of observations | 127386 | 2460 | 12369 |
| Number of reflections | 21257 | 475 | 2174 |
| <I/σ(I)> | 13.1 | 26.8 | 4.6 |
| Completeness [%] | 99.9 | 99.1 | 100 |
| Redundancy | 6 | 5.2 | 5.7 |
| CC(1/2) | 0.997 | 0.997 | 0.845 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 300 | Sodium cacodylate, PEG 3350 |
