6QOX

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 27 (Methyl 2-(hydroxymethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate)

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	74.963, 78.460, 88.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.705 - 1.740
R-factor	0.1857
Rwork	0.184
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.020
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]	88.480	88.480	1.830
High resolution limit [Å]	1.740	5.500	1.740
Rmerge	0.044	0.024	0.799
Rmeas	0.047	0.026	0.854
Rpim	0.017	0.009	0.299
Number of reflections	54370	1901	7835
<I/σ(I)>	23.5
Completeness [%]	100.0	99.8	100
Redundancy	7.8	7.3	8
CC(1/2)	1.000	0.999	0.813

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