7CBG
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-30 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.793, 101.796, 105.633 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.21706 |
| Rwork | 0.215 |
| R-free | 0.26126 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l2q |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.046 |
| 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] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.039 | 0.089 |
| Number of reflections | 32934 | 4771 |
| <I/σ(I)> | 25.8 | 10.9 |
| Completeness [%] | 99.6 | |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.24 M lithium acetate pH 7.5, 18% PEG3350 |
