6QQU

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 I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	74.410, 78.660, 85.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.056 - 1.590
R-factor	0.1811
Rwork	0.180
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	1.070
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]	58.020	58.020	1.630
High resolution limit [Å]	1.590	7.110	1.590
Rmerge	0.054	0.036	1.692
Rmeas	0.058	0.038	1.793
Rpim	0.019	0.014	0.589
Total number of observations	605403
Number of reflections	68474	888	4986
<I/σ(I)>	18.9
Completeness [%]	100.0	99.8	100
Redundancy	8.8	7.4	9.1
CC(1/2)	0.999	0.998	0.571

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