7V8J
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with the reaction intermediates proline-adenylate (Pro-AMP) and pyrophosphate
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 | 2019-09-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.080, 81.720, 105.260 |
Unit cell angles | 90.00, 102.55, 90.00 |
Refinement procedure
Resolution | 47.504 - 2.519 |
R-factor | 0.1717 |
Rwork | 0.169 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xif |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15rc1_3423) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.510 | 2.580 |
High resolution limit [Å] | 2.519 | 2.519 |
Number of reflections | 43233 | 3038 |
<I/σ(I)> | 8.5 | 1.2 |
Completeness [%] | 99.5 | 94.4 |
Redundancy | 6.7 | 6.5 |
CC(1/2) | 0.992 | 0.606 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.12 M Ethylene glycols (0.3M Diethylene glycol, 0.3M Triethylene glycol, 0.3M Tetraethylene glycol, 0.3M Pentaethylene glycol), 0.1 M Buffer (Imidazole, MES monohydrate), 30% v/v Precipitant mix (40% v/v Ethylene glycol, 20 % w/v PEG 8000) |