6QQQ
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 PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.517, 77.662, 85.999 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.638 - 1.850 |
| R-factor | 0.1924 |
| Rwork | 0.191 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.974 |
| 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] | 77.660 | 77.660 | 1.950 |
| High resolution limit [Å] | 1.850 | 5.840 | 1.850 |
| Rmerge | 0.090 | 0.056 | 1.000 |
| Rmeas | 0.096 | 0.059 | 1.058 |
| Rpim | 0.030 | 0.019 | 0.340 |
| Total number of observations | 397011 | ||
| Number of reflections | 42344 | 1529 | 5968 |
| <I/σ(I)> | 13.6 | ||
| Completeness [%] | 97.3 | 99.9 | 95.3 |
| Redundancy | 9.4 | 8.3 | 8.9 |
| CC(1/2) | 0.998 | 0.999 | 0.822 |
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 |
