6QOW

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 26 (6-methoxybenzothiazole-2-carboxylic acid)

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	75.693, 78.160, 88.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.482 - 1.530
R-factor	0.1797
Rwork	0.179
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.079
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.160	78.160	1.610
High resolution limit [Å]	1.530	4.820	1.530
Rmerge	0.039	0.023	0.785
Rmeas	0.042	0.025	0.841
Rpim	0.015	0.009	0.300
Total number of observations	622450
Number of reflections	80140	2748	11549
<I/σ(I)>	25.2
Completeness [%]	99.9	99.5	99.7
Redundancy	7.8	7.2	7.6
CC(1/2)	1.000	0.999	0.806

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