6QOH

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 11 (2-Amino-6-chloropurine)

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	73.652, 79.108, 86.318
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.320 - 1.660
R-factor	0.1908
Rwork	0.189
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.044
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]	86.320	86.320	1.750
High resolution limit [Å]	1.660	5.240	1.660
Rmerge	0.077	0.063	0.918
Rmeas	0.083	0.068	0.985
Rpim	0.030	0.025	0.353
Total number of observations	456803
Number of reflections	60583	2102	8747
<I/σ(I)>	14.6
Completeness [%]	100.0	99.7	100
Redundancy	7.5	6.6	7.7
CC(1/2)	0.998	0.996	0.782

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