5XIP
Crystal Structure of Eimeria tenella Prolyl-tRNA Synthetase (EtPRS) 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 | 2016-02-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9762 |
| Spacegroup name | H 3 |
| Unit cell lengths | 138.757, 138.757, 425.671 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.770 - 3.100 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.23010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4twa |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.610 |
| 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 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.099 | 0.509 |
| Total number of observations | 213662 | |
| Number of reflections | 53383 | 2726 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 95.7 | 97.8 |
| Redundancy | 4 | 3.9 |
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 |
