9KY3
Crystal structure of E. coli tryptophanyl-tRNA synthetase complexed with 3-demethylchuangxinmycin and tryptophanyl-5'-AMP
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 | 2024-05-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.553, 90.429, 74.637 |
| Unit cell angles | 90.00, 109.26, 90.00 |
Refinement procedure
| Resolution | 58.110 - 2.250 |
| R-factor | 0.1878 |
| Rwork | 0.187 |
| R-free | 0.20430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8i1w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.029 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.110 | 2.320 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.057 | 0.304 |
| Number of reflections | 36749 | 3356 |
| <I/σ(I)> | 20.1 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 280 | 0.2 M ammonium sulfate, 0.1 M MES, 20% PEG 8000 |
