6QOU

Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 24 (Indole-6-boronic acid)

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
Wavelength(s)	0.9282
Spacegroup name	P 21 21 21
Unit cell lengths	75.188, 79.070, 87.396
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.634 - 1.560
R-factor	0.1846
Rwork	0.183
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.039
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]	87.400	87.400	1.640
High resolution limit [Å]	1.560	4.920	1.560
Rmerge	0.030	0.016	0.825
Rmeas	0.032	0.017	0.889
Rpim	0.011	0.006	0.325
Total number of observations	581731
Number of reflections	75407	2607	10872
<I/σ(I)>	30.6
Completeness [%]	100.0	99.9	100
Redundancy	7.7	7	7.3
CC(1/2)	1.000	1.000	0.783

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