7F96
Plasmodium falciparum Prolyl-tRNA Synthetase (PfPRS) in Complex with L-proline and compound L95
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 | 2017-09-29 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 103.610, 103.610, 128.040 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.542 - 2.577 |
R-factor | 0.1568 |
Rwork | 0.155 |
R-free | 0.19140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ydq |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15rc2_3428) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.542 | 2.640 |
High resolution limit [Å] | 2.577 | 2.580 |
Rmerge | 0.062 | 0.819 |
Rmeas | 0.084 | 0.844 |
Number of reflections | 25534 | 1720 |
<I/σ(I)> | 26.1 | 3.7 |
Completeness [%] | 99.4 | 92.5 |
Redundancy | 19.5 | 17.1 |
CC(1/2) | 1.000 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M Alcohols (0.2M 1,6-Hexanediol, 0.2M 1-Butanol, 0.2M 1,2-Propanediol, 0.2M 2-Propanol, 0.2M 1,4-Butanediol, 0.2M 1,3-Propanediol), 0.1 M Buffer (Tris (base); BICINE) and 30 % v/v Precipitant Mix (40% v/v Ethylene glycol; 20% w/v PEG 8000) |