6QQZ
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 I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-28 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.779, 77.775, 86.438 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.739 - 1.702 |
R-factor | 0.1742 |
Rwork | 0.173 |
R-free | 0.19610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nvr |
RMSD bond length | 0.007 |
RMSD bond angle | 1.041 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.440 | 86.440 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.047 | 0.031 | 0.923 |
Rmeas | 0.050 | 0.034 | 0.980 |
Rpim | 0.017 | 0.012 | 0.324 |
Number of reflections | 51652 | 1945 | 8069 |
<I/σ(I)> | 22.8 | ||
Completeness [%] | 92.2 | 99.8 | 100 |
Redundancy | 8.7 | 7.8 | 9 |
CC(1/2) | 0.999 | 0.999 | 0.824 |
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 |