7ROS
Plasmodium falciparum 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 | 2020-11-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.292, 46.529, 139.015 |
| Unit cell angles | 90.00, 93.77, 90.00 |
Refinement procedure
| Resolution | 46.240 - 2.150 |
| R-factor | 0.2016 |
| Rwork | 0.200 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ror |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.450 |
| 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] | 47.210 | 2.220 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmeas | 0.146 | 2.003 |
| Rpim | 0.076 | 1.036 |
| Number of reflections | 48258 | 4197 |
| <I/σ(I)> | 8.4 | 1.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 7.2 |
| CC(1/2) | 0.997 | 0.655 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.5 M sodium malonate, pH 6 |
