6QRE
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 | 73.700, 79.200, 84.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.919 - 1.930 |
| R-factor | 0.1894 |
| Rwork | 0.187 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.031 |
| 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] | 79.200 | 79.200 | 2.030 |
| High resolution limit [Å] | 1.930 | 6.090 | 1.930 |
| Rmerge | 0.047 | 0.030 | 0.662 |
| Rmeas | 0.050 | 0.032 | 0.703 |
| Rpim | 0.016 | 0.011 | 0.231 |
| Total number of observations | 294675 | ||
| Number of reflections | 34316 | 1347 | 4892 |
| <I/σ(I)> | 22.4 | ||
| Completeness [%] | 89.3 | 99.9 | 88.5 |
| Redundancy | 8.6 | 7.8 | 8.5 |
| CC(1/2) | 0.999 | 0.998 | 0.898 |
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 |
