5XIG
Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Inhibitor 1
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 | 2015-10-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.762, 90.379, 93.209 |
| Unit cell angles | 89.90, 99.58, 104.22 |
Refinement procedure
| Resolution | 43.810 - 2.410 |
| R-factor | 0.1849 |
| Rwork | 0.182 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4twa |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.711 |
| Data reduction software | MxCuBE |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.062 | 0.479 |
| Rmeas | 0.072 | 0.554 |
| Rpim | 0.036 | 0.277 |
| Number of reflections | 91169 | 4565 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 98.6 | 98.4 |
| Redundancy | 4 | 4 |
| CC(1/2) | 0.828 |
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 |
