6QRG
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 | 2017-03-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.273, 77.867, 86.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.934 - 1.840 |
| R-factor | 0.1779 |
| Rwork | 0.177 |
| R-free | 0.19620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.017 |
| 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] | 86.490 | 86.490 | 1.940 |
| High resolution limit [Å] | 1.840 | 5.810 | 1.840 |
| Rmerge | 0.047 | 0.029 | 0.793 |
| Rmeas | 0.050 | 0.031 | 0.841 |
| Rpim | 0.017 | 0.011 | 0.278 |
| Total number of observations | 382304 | ||
| Number of reflections | 44403 | 1558 | 6386 |
| <I/σ(I)> | 21.1 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 8.6 | 7.9 | 8.9 |
| CC(1/2) | 0.999 | 0.999 | 0.827 |
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 |
