6QR3
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 I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.870, 77.106, 86.663 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.606 - 1.614 |
| R-factor | 0.1813 |
| Rwork | 0.180 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.074 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 86.660 | 86.660 | 1.700 |
| High resolution limit [Å] | 1.610 | 5.100 | 1.610 |
| Rmerge | 0.111 | 0.107 | 1.276 |
| Rmeas | 0.118 | 0.115 | 1.353 |
| Rpim | 0.040 | 0.041 | 0.447 |
| Total number of observations | 559744 | ||
| Number of reflections | 65224 | 2261 | 9407 |
| <I/σ(I)> | 12.8 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 8.6 | 7.5 | 8.8 |
| CC(1/2) | 0.994 | 0.986 | 0.761 |
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 |
