7WPN
Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor and ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-05-21 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.487, 72.053, 115.488 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.130 - 2.400 |
| R-factor | 0.2189 |
| Rwork | 0.217 |
| R-free | 0.25930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7wpm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.224 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.130 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.140 | 0.540 |
| Number of reflections | 20367 | 2082 |
| <I/σ(I)> | 10.6 | 3.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 300 | Sodium cacodylate, PEG 3350 |
