5XIQ
Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with Halofuginone
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 | 2015-06-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.852, 90.898, 92.869 |
| Unit cell angles | 89.86, 80.92, 75.82 |
Refinement procedure
| Resolution | 40.320 - 2.190 |
| R-factor | 0.1676 |
| Rwork | 0.165 |
| R-free | 0.20690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4twa |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.858 |
| Data reduction software | MxCuBE |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 | 2.240 |
| High resolution limit [Å] | 2.190 | 2.240 | 2.200 |
| Rmerge | 0.091 | 0.487 | 0.571 |
| Number of reflections | 120215 | 5869 | |
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 98.3 | 97.7 | 97.5 |
| Redundancy | 4 | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10%(w/v) PEG 4K, 20%(v/v) glycerol, 0.03M of each divalent cation and 0.1M MES/imidazole |
