6QOK

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 14 (Methyl 2-aminopyridine-4-carboxylate)

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	73.702, 78.625, 86.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.177 - 1.480
R-factor	0.1714
Rwork	0.170
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.052
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]	86.480	86.480	1.560
High resolution limit [Å]	1.480	4.670	1.480
Rmerge	0.049	0.033	0.885
Rmeas	0.053	0.036	0.952
Rpim	0.019	0.013	0.346
Total number of observations	646141
Number of reflections	85093	2931	12271
<I/σ(I)>	21.1
Completeness [%]	100.0	99.9	99.9
Redundancy	7.6	6.7	7.4
CC(1/2)	0.999	0.999	0.745

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