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 |