7F9V
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Halofuginone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.067, 82.981, 105.521 |
Unit cell angles | 90.00, 103.08, 90.00 |
Refinement procedure
Resolution | 75.067 - 1.816 |
R-factor | 0.1728 |
Rwork | 0.172 |
R-free | 0.19680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xiq |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.070 | 1.850 |
High resolution limit [Å] | 1.816 | 1.820 |
Number of reflections | 116774 | 5874 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.8 | 6.7 |
CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.09 M Halogens (0.3M Sodium fluoride, 0.3M Sodium bromide, 0.3M Sodium iodide), 0.1 M Buffer (Imidazole, MES monohydrate), 30 % v/v Precipitant (40% v/v Glycerol, 20% w/v PEG 4000) |