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 |