7F9R
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95, L-Proline and Febrifugine
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 | 2019-07-08 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.830, 73.830, 74.700 |
Unit cell angles | 90.00, 111.49, 90.00 |
Refinement procedure
Resolution | 35.721 - 1.830 |
R-factor | 0.1673 |
Rwork | 0.166 |
R-free | 0.19290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xiq |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.340 | 1.860 |
High resolution limit [Å] | 1.830 | 1.830 |
Number of reflections | 51148 | 2547 |
<I/σ(I)> | 13 | 1.2 |
Completeness [%] | 99.7 | 100 |
Redundancy | 6.8 | 7.1 |
CC(1/2) | 1.000 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M Amino acids (0.2M DL-Glutamic acid monohydrate; 0.2M DL-Alanine; 0.2M Glycine; 0.2M DL-Lysine monohydrochloride; 0.2M DL-Serine), 0.1 M Buffer (midazole; MES monohydrate) and 30 % v/v Precipitant (40% v/v Ethylene glycol; 20% w/v PEG 8000) |