7DB8
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845
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 | 2020-07-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97930 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 278.005, 297.814, 65.901 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.640 - 2.300 |
| R-factor | 0.1691 |
| Rwork | 0.168 |
| R-free | 0.18640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7daw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.980 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (1.18.2_3874) |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.138 | 0.681 |
| Number of reflections | 121928 | 6050 |
| <I/σ(I)> | 19 | 4.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.4 | 13.7 |
| CC(1/2) | 0.994 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 1.5M (NH4)2SO4, 0.2% PEG 3350, 0.1M HEPES pH 7.5 |
