9KXB
Crystal structure of S. aureus tryptophanyl-tRNA synthetase complexed with 3-methylchuangxinmycin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.946, 66.754, 100.169 |
| Unit cell angles | 90.00, 101.73, 90.00 |
Refinement procedure
| Resolution | 60.660 - 2.210 |
| R-factor | 0.2119 |
| Rwork | 0.212 |
| R-free | 0.22010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.040 |
| Data reduction software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.080 | 2.270 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.121 | 0.810 |
| Number of reflections | 60230 | 4430 |
| <I/σ(I)> | 6.5 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 291 | 0.1 M Tris, 5% gamma-PGA (Na salt, low molecular), 20% PEG 2000 MME |
