6SWX
Leishmania major methionyl-tRNA synthetase in complex with an allosteric 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 | 2017-05-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.178, 100.791, 132.056 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.550 - 1.950 |
R-factor | 0.1874 |
Rwork | 0.186 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kfl |
RMSD bond length | 0.011 |
RMSD bond angle | 1.650 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.550 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.037 | 0.711 |
Number of reflections | 53240 | 3650 |
<I/σ(I)> | 24 | 2.4 |
Completeness [%] | 99.8 | 98 |
Redundancy | 6.5 | 6.6 |
CC(1/2) | 1.000 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 23-28% PEG 3350, 0.2 M K Formate pH 7.0-7.5 |