7CBH
Crystal structure of threonyl-tRNA synthetase (ThrRS) from Salmonella enterica in complex with an inhibitor
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 | 2019-04-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.183, 101.267, 103.427 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.360 - 1.950 |
| R-factor | 0.17755 |
| Rwork | 0.176 |
| R-free | 0.21468 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l2q |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.299 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.360 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.085 | 0.542 |
| Number of reflections | 76584 | 7568 |
| <I/σ(I)> | 18.6 | 2.8 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.24 M lithium acetate pH 7.5, 18% PEG3350 |
