6QRB

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 I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	75.461, 77.752, 86.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.390 - 1.660
R-factor	0.1919
Rwork	0.191
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	1.085
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]	57.910	57.910	1.750
High resolution limit [Å]	1.660	5.240	1.660
Rmerge	0.119	0.057	2.047
Rmeas	0.127	0.061	2.173
Rpim	0.044	0.021	0.722
Number of reflections	60366	2136	8885
<I/σ(I)>	11.7
Completeness [%]	98.2	99.8	100
Redundancy	8.3	7.3	8.8
CC(1/2)	0.998	0.998	0.471

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