7ZOG
Crystal structure of Cryptosporidium parvum -Plasmodium falciparum mutant lysyl tRNA synthetase in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.103, 118.732, 143.454 |
| Unit cell angles | 90.00, 90.69, 90.00 |
Refinement procedure
| Resolution | 64.900 - 1.800 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hcw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.452 |
| Data reduction software | DIALS (3.4.3-1) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.900 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.084 | 0.991 |
| Number of reflections | 226134 | 1234 |
| <I/σ(I)> | 11 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 300 | Reservoir: 0.1 M tris, pH 7.8, 0.2 M lithium sulfate, 25% PEG 3350 |
