8S0V
Crystal structure of Cryptosporidium parvum - Trypanosoma cruzi mutant lysyl tRNA synthetase in complex with inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.95373 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 73.136, 116.697, 142.882 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.350 - 1.600 |
| Rwork | 0.184 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.666 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.350 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.082 | 1.212 |
| Rpim | 0.033 | 0.635 |
| Number of reflections | 160925 | 62276 |
| <I/σ(I)> | 16 | 1.6 |
| Completeness [%] | 99.7 | 95 |
| Redundancy | 13.1 | 8.3 |
| CC(1/2) | 0.999 | 0.628 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Protein buffer: 25 mM HEPES, 500 mM NaCl, 5% glycerol, 0.5 mM TCEP, pH 7, 30 mg/ml Reservoir: 0.2 M Li2SO4, 14-18% PEG3350, 0.1 M tris pH 7.4-7.8 |
