6QOG

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 10 (2-Amino-5-bromobenzothiazole)

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	73.750, 78.513, 86.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.754 - 1.550
R-factor	0.1797
Rwork	0.179
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.036
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]	86.710	86.710	1.630
High resolution limit [Å]	1.550	4.890	1.550
Rmerge	0.047	0.035	0.825
Rmeas	0.051	0.038	0.883
Rpim	0.018	0.014	0.314
Number of reflections	74045	2554	10665
<I/σ(I)>	20.9
Completeness [%]	100.0	99.8	99.9
Redundancy	7.6	6.6	7.7
CC(1/2)	0.999	0.999	0.805

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