6HCW
Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.969 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 116.514, 142.650, 72.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.940 - 1.460 |
| R-factor | 0.1886 |
| Rwork | 0.187 |
| R-free | 0.21490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eln |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.929 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.000 | 1.500 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.076 | 0.659 |
| Number of reflections | 205432 | |
| <I/σ(I)> | 10 | 1.4 |
| Completeness [%] | 97.6 | 80.5 |
| Redundancy | 5.6 | 2.6 |
| CC(1/2) | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 25% (w/v) PEG-3350, 0.2 M lithium sulfate, 0.1 M Tris HCl pH 8.5 |
