6QR6
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 I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.950, 77.483, 87.347 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.852 - 1.710 |
| R-factor | 0.1827 |
| Rwork | 0.182 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.043 |
| 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] | 87.350 | 87.350 | 1.800 |
| High resolution limit [Å] | 1.710 | 5.400 | 1.710 |
| Rmerge | 0.049 | 0.036 | 0.749 |
| Rmeas | 0.052 | 0.039 | 0.795 |
| Rpim | 0.018 | 0.014 | 0.262 |
| Total number of observations | 484255 | ||
| Number of reflections | 56020 | 1947 | 8081 |
| <I/σ(I)> | 20.8 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 8.6 | 7.6 | 8.9 |
| CC(1/2) | 0.999 | 0.999 | 0.833 |
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 |
