6HCV
Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-22 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.557, 95.189, 166.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.000 - 2.200 |
R-factor | 0.2151 |
Rwork | 0.213 |
R-free | 0.25420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h02 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.298 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.110 | 0.384 |
Number of reflections | 59459 | |
<I/σ(I)> | 9 | 2.3 |
Completeness [%] | 98.7 | 90.3 |
Redundancy | 4.8 | 2.4 |
CC(1/2) | 0.490 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.1 M Bis-Tris pH 6.5, 2 % Tascimate pH 6.0, 20 % PEG 3350 |