7WMI
Threonyl-tRNA synthetase 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 | 2020-11-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.394, 102.618, 102.851 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.2098 |
| Rwork | 0.208 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6l2q |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.143 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.103 | 0.064 | 0.541 |
| Rmeas | 0.112 | 0.070 | 0.592 |
| Rpim | 0.043 | 0.028 | 0.237 |
| Total number of observations | 407311 | ||
| Number of reflections | 61714 | 6484 | 6074 |
| <I/σ(I)> | 5.6 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 6.6 | 6.3 | 6.2 |
| CC(1/2) | 0.967 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.28 M lithium acetate pH 7.0, 20% PEG 3350 |
