6QOQ

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 20 (6-Aminobenzothiazole)

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	74.048, 78.489, 86.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.244 - 1.670
R-factor	0.1734
Rwork	0.172
R-free	0.19340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.007
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]	86.470	86.470	1.760
High resolution limit [Å]	1.670	5.270	1.670
Rmerge	0.062	0.045	0.828
Rmeas	0.066	0.048	0.890
Rpim	0.024	0.018	0.323
Total number of observations	451737
Number of reflections	59568	2074	8565
<I/σ(I)>	17.2
Completeness [%]	100.0	99.8	100
Redundancy	7.6	6.5	7.5
CC(1/2)	0.999	0.998	0.767

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