6QR2

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	2017-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	74.881, 76.728, 86.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.364 - 1.550
R-factor	0.1694
Rwork	0.169
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.006
RMSD bond angle	1.045
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]	86.590	86.590	1.630
High resolution limit [Å]	1.550	4.890	1.550
Rmerge	0.042	0.033	0.723
Rmeas	0.045	0.036	0.772
Rpim	0.016	0.013	0.270
Total number of observations	578145
Number of reflections	73287	2552	10650
<I/σ(I)>	22.1
Completeness [%]	99.4	99.9	100
Redundancy	7.9	7.2	8
CC(1/2)	0.999	0.999	0.838

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