7F9P
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and azetidine
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 | C 1 2 1 |
Unit cell lengths | 151.130, 75.495, 110.166 |
Unit cell angles | 90.00, 152.24, 90.00 |
Refinement procedure
Resolution | 51.320 - 1.570 |
R-factor | 0.1769 |
Rwork | 0.175 |
R-free | 0.20220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xiq |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.490 | 1.600 |
High resolution limit [Å] | 1.570 | 1.570 |
Number of reflections | 79294 | 3363 |
<I/σ(I)> | 11.8 | 0.5 |
Completeness [%] | 98.5 | 83.6 |
Redundancy | 6.2 | |
CC(1/2) | 1.000 | 0.700 |
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 (Imidazole; MES monohydrate) and 30 % v/v Precipitant (40% v/v Ethylene glycol; 20% w/v PEG 8000) |