6QO2
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 1 (1H-Indole-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 | 74.416, 77.893, 87.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.582 - 1.680 |
| R-factor | 0.1725 |
| Rwork | 0.171 |
| R-free | 0.19810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6nvr |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.004 |
| 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] | 87.110 | 87.110 | 1.770 |
| High resolution limit [Å] | 1.680 | 5.300 | 1.680 |
| Rmerge | 0.052 | 0.032 | 0.850 |
| Rmeas | 0.056 | 0.035 | 0.909 |
| Rpim | 0.020 | 0.013 | 0.320 |
| Total number of observations | 445329 | ||
| Number of reflections | 58378 | 2045 | 8392 |
| <I/σ(I)> | 19.9 | ||
| Completeness [%] | 99.4 | 99.7 | 98.7 |
| Redundancy | 7.6 | 6.5 | 7.8 |
| CC(1/2) | 0.999 | 0.999 | 0.756 |
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 |
