6QR3

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	74.870, 77.106, 86.663
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.606 - 1.614
R-factor	0.1813
Rwork	0.180
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.006
RMSD bond angle	1.074
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]	86.660	86.660	1.700
High resolution limit [Å]	1.610	5.100	1.610
Rmerge	0.111	0.107	1.276
Rmeas	0.118	0.115	1.353
Rpim	0.040	0.041	0.447
Total number of observations	559744
Number of reflections	65224	2261	9407
<I/σ(I)>	12.8
Completeness [%]	100.0	99.9	100
Redundancy	8.6	7.5	8.8
CC(1/2)	0.994	0.986	0.761

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