6QR6

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	2017-09-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	74.950, 77.483, 87.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.852 - 1.710
R-factor	0.1827
Rwork	0.182
R-free	0.19880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	1.043
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.350	87.350	1.800
High resolution limit [Å]	1.710	5.400	1.710
Rmerge	0.049	0.036	0.749
Rmeas	0.052	0.039	0.795
Rpim	0.018	0.014	0.262
Total number of observations	484255
Number of reflections	56020	1947	8081
<I/σ(I)>	20.8
Completeness [%]	100.0	99.8	100
Redundancy	8.6	7.6	8.9
CC(1/2)	0.999	0.999	0.833

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