6QQV

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 I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	74.556, 77.749, 86.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.729 - 1.712
R-factor	0.1772
Rwork	0.176
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	1.032
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]	57.730	57.730	1.800
High resolution limit [Å]	1.710	5.410	1.710
Rmerge	0.072	0.058	0.658
Rmeas	0.077	0.062	0.708
Rpim	0.027	0.023	0.258
Number of reflections	54709	1901	7874
<I/σ(I)>	14.7
Completeness [%]	100.0	99.9	100
Redundancy	7.7	7	7.5
CC(1/2)	0.998	0.996	0.874

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