6QR5
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 | 74.183, 77.985, 86.363 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.273 - 1.810 |
| R-factor | 0.191 |
| Rwork | 0.190 |
| R-free | 0.21840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.998 |
| 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] | 77.990 | 77.990 | 1.910 |
| High resolution limit [Å] | 1.810 | 5.720 | 1.810 |
| Rmerge | 0.040 | 0.027 | 0.643 |
| Rmeas | 0.043 | 0.029 | 0.680 |
| Rpim | 0.014 | 0.010 | 0.219 |
| Total number of observations | 409177 | ||
| Number of reflections | 46361 | 1614 | 6667 |
| <I/σ(I)> | 25.1 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 8.8 | 7.6 | 9.1 |
| CC(1/2) | 1.000 | 1.000 | 0.895 |
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 |
