7F9T
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and Halofuginone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-17 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.587, 70.630, 76.485 |
| Unit cell angles | 101.05, 92.19, 115.84 |
Refinement procedure
| Resolution | 45.067 - 1.489 |
| R-factor | 0.1737 |
| Rwork | 0.173 |
| R-free | 0.19110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xiq |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.920 | 1.510 |
| High resolution limit [Å] | 1.489 | 1.490 |
| Number of reflections | 203943 | 9732 |
| <I/σ(I)> | 8.1 | 1.1 |
| Completeness [%] | 96.4 | 91.6 |
| Redundancy | 3.6 | 3.7 |
| CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Carboxylic acids (0.2M Sodium formate, 0.2M Ammonium acetate, 0.2M Sodium citrate tribasic dihydrate, 0.2M Potassium sodium tartrate tetrahydrate, 0.2M Sodium oxamate), 0.1 M Buffer (Imidazole; MES monohydrate), 30 % v/v Precipitant (40% v/v Ethylene glycol, 20% w/v PEG 8000) |
