6QRF

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	73.820, 78.610, 84.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.441 - 1.860
R-factor	0.1876
Rwork	0.186
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	0.994
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]	57.660	57.660	1.910
High resolution limit [Å]	1.860	8.320	1.860
Rmerge	0.061	0.025	1.561
Rmeas	0.065	0.027	1.664
Rpim	0.022	0.010	0.570
Total number of observations	367671
Number of reflections	42198	554	3075
<I/σ(I)>	18
Completeness [%]	100.0	99.6	100
Redundancy	8.7	7.4	8.4
CC(1/2)	0.999	0.999	0.645

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