8YTK
Crystal structure of human prolyl-tRNA synthetase in complex with 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 | 2021-10-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.602, 92.157, 86.621 |
| Unit cell angles | 90.00, 108.63, 90.00 |
Refinement procedure
| Resolution | 46.121 - 2.553 |
| Rwork | 0.202 |
| R-free | 0.24960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.067 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.195 | 0.119 |
| Number of reflections | 34745 | 1713 |
| <I/σ(I)> | 26.4 | 7.85 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 3.4 | 3.6 |
| CC(1/2) | 0.975 | 0.975 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 289 | 0.2 M magnesium chloride, 0.1 M Tris pH 8.4, 20% PEG 3,350 |
