7F9S
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-28 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9786 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.510, 73.650, 75.030 |
Unit cell angles | 90.00, 111.39, 90.00 |
Refinement procedure
Resolution | 33.996 - 1.861 |
R-factor | 0.1741 |
Rwork | 0.172 |
R-free | 0.20890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xiq |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.870 | 1.970 |
High resolution limit [Å] | 1.860 | 1.860 |
Number of reflections | 49540 | 7923 |
<I/σ(I)> | 21.8 | 1.68 |
Completeness [%] | 99.7 | 98.9 |
Redundancy | 7 | |
CC(1/2) | 1.000 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2 mM Divalents (0.005M Manganese(II) chloride tetrahydrate, 0.005M Cobalt(II) chloride hexahydrate , 0.005M Nickel(II) chloride hexahydrate, 0.005M Zinc acetate dihydrate), 32.5 % v/v Precipitant (25% w/v PEG 4000, 40% w/v 1,2,6-Hexanetriol) |