6QOJ
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 13 (4-Hydroxyquinazoline)
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 | 74.010, 80.498, 84.284 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.755 - 2.023 |
R-factor | 0.1982 |
Rwork | 0.196 |
R-free | 0.23660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.051 |
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] | 84.280 | 84.280 | 2.130 |
High resolution limit [Å] | 2.020 | 6.400 | 2.020 |
Rmerge | 0.060 | 0.038 | 0.974 |
Rmeas | 0.064 | 0.041 | 1.045 |
Rpim | 0.023 | 0.015 | 0.375 |
Total number of observations | 254844 | ||
Number of reflections | 33602 | 1192 | 4826 |
<I/σ(I)> | 16.6 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 7.6 | 6.7 | 7.6 |
CC(1/2) | 0.999 | 0.998 | 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 |