6QR9
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.679, 77.179, 87.556 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.036 - 2.420 |
R-factor | 0.1849 |
Rwork | 0.182 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nvr |
RMSD bond length | 0.008 |
RMSD bond angle | 1.148 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 77.180 | 77.180 | 2.550 |
High resolution limit [Å] | 2.420 | 7.640 | 2.420 |
Rmerge | 0.229 | 0.078 | 1.373 |
Rmeas | 0.245 | 0.084 | 1.462 |
Rpim | 0.083 | 0.029 | 0.497 |
Number of reflections | 20277 | 724 | 2893 |
<I/σ(I)> | 8.8 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 8.4 | 7.2 | 8.5 |
CC(1/2) | 0.994 | 0.996 | 0.676 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.08M Sodium cacodylate pH 6.5 -7.0, 1-2 M Ammonium sulphate |