6QR1

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	2017-07-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	74.432, 77.484, 86.716
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.480 - 1.670
R-factor	0.1809
Rwork	0.180
R-free	0.20510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.006
RMSD bond angle	1.015
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.480	77.480	1.760
High resolution limit [Å]	1.670	5.280	1.670
Rmerge	0.041	0.030	0.738
Rmeas	0.043	0.032	0.782
Rpim	0.015	0.011	0.257
Number of reflections	59078	2057	8538
<I/σ(I)>	24.8
Completeness [%]	100.0	99.9	100
Redundancy	8.8	7.8	9.1
CC(1/2)	1.000	0.999	0.847

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