6QQS

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 I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	74.357, 79.028, 85.537
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.154 - 1.760
R-factor	0.1791
Rwork	0.177
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	0.984
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.360	74.360	1.850
High resolution limit [Å]	1.760	5.560	1.760
Rmerge	0.059	0.048	0.904
Rmeas	0.063	0.052	0.970
Rpim	0.023	0.020	0.349
Number of reflections	50911	1779	7354
<I/σ(I)>	18.4
Completeness [%]	100.0	99.9	100
Redundancy	7.6	6.6	7.6
CC(1/2)	0.999	0.998	0.750

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