5XIF
Crystal Structure of Prolyl-tRNA Synthetase (PRS) from Toxoplasma gondii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.95373 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 76.680, 86.430, 97.160 |
Unit cell angles | 90.00, 106.46, 90.00 |
Refinement procedure
Resolution | 53.410 - 2.480 |
R-factor | 0.1962 |
Rwork | 0.193 |
R-free | 0.24950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4twa |
RMSD bond length | 0.012 |
RMSD bond angle | 1.535 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.2) |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.410 | 2.570 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmeas | 0.159 | 1.495 |
Rpim | 0.054 | 0.517 |
Number of reflections | 42796 | 4075 |
<I/σ(I)> | 13.6 | |
Completeness [%] | 99.0 | 95.9 |
Redundancy | 8.5 | 8.2 |
CC(1/2) | 0.997 | 0.575 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 10%(w/v) PEG 8K, 20%(v/v) ethylene glycol, 0.03M of each ethylene glycol and 0.1M bicine/Trizma base |