6L2Q
Threonyl-tRNA synthetase 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 | 2019-07-15 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.231, 101.917, 105.641 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.180 - 2.300 |
| R-factor | 0.2117 |
| Rwork | 0.209 |
| R-free | 0.25420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hwp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.108 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.180 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.052 | 0.161 |
| Number of reflections | 41697 | 6025 |
| <I/σ(I)> | 13.1 | 4.3 |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 3.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7 | 293 | 0.22 M lithium acetate pH 7.0, 20% PEG 3350 |
