6QR7
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 I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.011, 77.787, 86.943 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.970 - 2.030 |
| R-factor | 0.1902 |
| Rwork | 0.188 |
| R-free | 0.22580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.069 |
| 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] | 57.970 | 57.970 | 2.140 |
| High resolution limit [Å] | 2.030 | 6.410 | 2.030 |
| Rmerge | 0.347 | 0.084 | 3.683 |
| Rmeas | 0.369 | 0.090 | 3.898 |
| Rpim | 0.123 | 0.032 | 1.263 |
| Total number of observations | 284323 | ||
| Number of reflections | 33679 | 1194 | 4842 |
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 8.4 | 7.4 | 8.8 |
| CC(1/2) | 0.994 | 0.996 | 0.436 |
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 |
