6QQX

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 I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	74.614, 78.220, 86.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.010 - 2.690
R-factor	0.234
Rwork	0.232
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nvr
RMSD bond length	0.007
RMSD bond angle	1.151
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.220	78.220	2.840
High resolution limit [Å]	2.690	8.520	2.690
Rmerge	0.241	0.091	1.053
Rmeas	0.257	0.098	1.118
Rpim	0.087	0.035	0.370
Total number of observations	125661
Number of reflections	14581	536	2098
<I/σ(I)>	8.3
Completeness [%]	100.0	99.6	100
Redundancy	8.6	7.5	9.1
CC(1/2)	0.985	0.995	0.764

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