6QOA
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 5 (Isoxazole-5-carboxamide)
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 | 2015-11-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.763, 80.272, 84.542 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.212 - 1.930 |
| R-factor | 0.1774 |
| Rwork | 0.175 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.038 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 80.270 | 80.270 | 2.030 |
| High resolution limit [Å] | 1.930 | 6.090 | 1.930 |
| Rmerge | 0.062 | 0.038 | 0.766 |
| Rmeas | 0.066 | 0.041 | 0.821 |
| Rpim | 0.024 | 0.016 | 0.295 |
| Total number of observations | 288655 | ||
| Number of reflections | 38662 | 1357 | 5571 |
| <I/σ(I)> | 17.4 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 7.5 | 6.5 | 7.6 |
| CC(1/2) | 0.998 | 0.997 | 0.859 |
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 |
