7QHN
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91587 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 82.891, 82.891, 146.616 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.260 - 2.580 |
R-factor | 0.2951 |
Rwork | 0.293 |
R-free | 0.33910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5elo |
RMSD bond length | 0.005 |
RMSD bond angle | 1.476 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.890 | 2.620 |
High resolution limit [Å] | 2.580 | 2.580 |
Rmerge | 0.293 | 3.027 |
Rpim | 0.109 | 1.067 |
Number of reflections | 16758 | 797 |
<I/σ(I)> | 4.6 | 0.8 |
Completeness [%] | 99.9 | 99.1 |
Redundancy | 8.3 | 8.8 |
CC(1/2) | 1.000 | 0.709 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Reservoir: 0.25 M NaOAc and 14% w/v PEG 3350 Protein buffer:100 mM HEPES, 150 mM NaCl, 5% glycerol, pH 7.5 Protein conc ~20mg/ml |