6HCU
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.074 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.137, 95.344, 166.517 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.740 - 1.620 |
| R-factor | 0.1848 |
| Rwork | 0.183 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h02 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.245 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.000 | 1.660 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.062 | 0.872 |
| Number of reflections | 148069 | |
| <I/σ(I)> | 10 | 1.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.4 |
| CC(1/2) | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M Bis-Tris pH 6.5, 2 % (v/v) Tascimate pH 6.0, 20 % (w/v) PEG 3350 |
