7ROU
Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 75.622, 162.189, 35.231 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.980 - 1.700 |
| R-factor | 0.1797 |
| Rwork | 0.178 |
| R-free | 0.20880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qbt |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.086 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.980 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.087 | 3.024 |
| Rpim | 0.033 | 1.147 |
| Number of reflections | 48890 | 2547 |
| <I/σ(I)> | 13.6 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 7 | |
| CC(1/2) | 0.999 | 0.467 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.1-2.3 M ammonium sulfate, 2% acetone, 0.1 M NaH2PO4/K2HPO4, pH 5.5 |
