5XIO
Crystal Structure of Cryptosporidium parvum Prolyl-tRNA Synthetase (CpPRS) in complex with Halofuginone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.768, 112.635, 140.494 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.310 - 2.460 |
| R-factor | 0.19911 |
| Rwork | 0.196 |
| R-free | 0.25248 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4twa |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.946 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.310 | 2.520 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.152 | |
| Number of reflections | 48148 | 3254 |
| <I/σ(I)> | 18.7 | 3.8 |
| Completeness [%] | 99.3 | 92 |
| Redundancy | 13.6 | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20%(w/v) PEG 3,350 and 0.2M Ammonium citrate dibasic |
