6QQT

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	2016-10-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	74.591, 77.862, 86.636
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.743 - 1.673
R-factor	0.1729
Rwork	0.171
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.006
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.640	86.640	1.760
High resolution limit [Å]	1.670	5.290	1.670
Rmerge	0.051	0.044	0.912
Rmeas	0.054	0.047	0.970
Rpim	0.018	0.017	0.326
Total number of observations	519445
Number of reflections	58996	2056	8521
<I/σ(I)>	20.7
Completeness [%]	100.0	99.9	100
Redundancy	8.8	7.8	8.8
CC(1/2)	0.999	0.998	0.786

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