6QQU
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 | 74.410, 78.660, 85.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.056 - 1.590 |
| R-factor | 0.1811 |
| Rwork | 0.180 |
| R-free | 0.19920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 58.020 | 58.020 | 1.630 |
| High resolution limit [Å] | 1.590 | 7.110 | 1.590 |
| Rmerge | 0.054 | 0.036 | 1.692 |
| Rmeas | 0.058 | 0.038 | 1.793 |
| Rpim | 0.019 | 0.014 | 0.589 |
| Total number of observations | 605403 | ||
| Number of reflections | 68474 | 888 | 4986 |
| <I/σ(I)> | 18.9 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 8.8 | 7.4 | 9.1 |
| CC(1/2) | 0.999 | 0.998 | 0.571 |
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 |
