6QOV

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 25 (6-Phenyl-3-pyridinyl)methylamine)

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	2015-12-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 21 21 21
Unit cell lengths	75.033, 79.041, 87.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.679 - 1.550
R-factor	0.1834
Rwork	0.182
R-free	0.20660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.023
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.040	79.040	1.630
High resolution limit [Å]	1.550	4.890	1.550
Rmerge	0.041	0.022	0.817
Rmeas	0.044	0.023	0.878
Rpim	0.016	0.009	0.318
Number of reflections	76466	2639	11022
<I/σ(I)>	24.7
Completeness [%]	99.9	99.9	99.8
Redundancy	7.7	7.1	7.4
CC(1/2)	1.000	0.999	0.800

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