6QOX
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 27 (Methyl 2-(hydroxymethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9282 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.963, 78.460, 88.483 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.705 - 1.740 |
R-factor | 0.1857 |
Rwork | 0.184 |
R-free | 0.21350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.020 |
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] | 88.480 | 88.480 | 1.830 |
High resolution limit [Å] | 1.740 | 5.500 | 1.740 |
Rmerge | 0.044 | 0.024 | 0.799 |
Rmeas | 0.047 | 0.026 | 0.854 |
Rpim | 0.017 | 0.009 | 0.299 |
Number of reflections | 54370 | 1901 | 7835 |
<I/σ(I)> | 23.5 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.8 | 7.3 | 8 |
CC(1/2) | 1.000 | 0.999 | 0.813 |
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 |