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) |
