9VCI
Crystal structure of Escherichia coli tryptophanyl-tRNA synthetase in complex with an inhibitor
This is a non-PDB format compatible entry.
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 | 2024-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.495, 79.532, 77.651 |
| Unit cell angles | 90.00, 105.82, 90.00 |
Refinement procedure
| Resolution | 59.160 - 1.880 |
| R-factor | 0.19503 |
| Rwork | 0.194 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.742 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.160 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.086 | 0.653 |
| Number of reflections | 57750 | 8331 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 98.5 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.15 M ammonium sulfate, 0.1 M HEPES pH 7.5, 25% w/v PEG 3,350 |
