6QOR

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 21 (2-Amino-3-nitrophenol)

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	74.915, 77.088, 87.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.752 - 1.671
R-factor	0.1744
Rwork	0.173
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.061
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]	87.280	87.280	1.760
High resolution limit [Å]	1.670	5.280	1.670
Rmerge	0.069	0.046	0.741
Rmeas	0.074	0.049	0.796
Rpim	0.027	0.018	0.289
Total number of observations	450177
Number of reflections	59308	2065	8537
<I/σ(I)>	16
Completeness [%]	100.0	99.8	100
Redundancy	7.6	6.7	7.5
CC(1/2)	0.999	0.998	0.793

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