6QRG

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	74.273, 77.867, 86.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.934 - 1.840
R-factor	0.1779
Rwork	0.177
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	1.017
Data reduction software	XDS
Data scaling software	Aimless (0.5.31)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.490	86.490	1.940
High resolution limit [Å]	1.840	5.810	1.840
Rmerge	0.047	0.029	0.793
Rmeas	0.050	0.031	0.841
Rpim	0.017	0.011	0.278
Total number of observations	382304
Number of reflections	44403	1558	6386
<I/σ(I)>	21.1
Completeness [%]	100.0	99.8	100
Redundancy	8.6	7.9	8.9
CC(1/2)	0.999	0.999	0.827

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