7VC2
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L96 and L-proline in space group P21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-03 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.980 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.100, 81.620, 104.880 |
Unit cell angles | 90.00, 102.68, 90.00 |
Refinement procedure
Resolution | 47.420 - 2.096 |
R-factor | 0.1791 |
Rwork | 0.177 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xif |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.420 | 2.230 |
High resolution limit [Å] | 2.096 | 2.100 |
Number of reflections | 145446 | 22375 |
<I/σ(I)> | 13.5 | 1.9 |
Completeness [%] | 99.6 | |
Redundancy | 6.9 | 6.8 |
CC(1/2) | 1.000 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.12 M Ethylene glycols (0.3M Diethylene glycol, 0.3M Triethylene glycol, 0.3M Tetraethylene glycol, 0.3M Pentaethylene glycol), 0.1 M Buffer (Imidazole; MES monohydrate), 30% v/v Precipitant Mix (40% v/v Ethylene glycol, 20% w/v PEG 8000) |