6QOA

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 5 (Isoxazole-5-carboxamide)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	73.763, 80.272, 84.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.212 - 1.930
R-factor	0.1774
Rwork	0.175
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	1.038
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]	80.270	80.270	2.030
High resolution limit [Å]	1.930	6.090	1.930
Rmerge	0.062	0.038	0.766
Rmeas	0.066	0.041	0.821
Rpim	0.024	0.016	0.295
Total number of observations	288655
Number of reflections	38662	1357	5571
<I/σ(I)>	17.4
Completeness [%]	100.0	99.8	100
Redundancy	7.5	6.5	7.6
CC(1/2)	0.998	0.997	0.859

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