7NMK

Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis with bound methylation product 1-methoxyquinolin-4(1H)-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-13
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000030
Spacegroup name	P 31 2 1
Unit cell lengths	69.866, 69.866, 95.644
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.470 - 1.204
R-factor	0.17
Rwork	0.169
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bgg
RMSD bond length	0.009
RMSD bond angle	1.020
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.133	1.283
High resolution limit [Å]	1.204	1.204
Number of reflections	62745	3135
<I/σ(I)>	16
Completeness [%]	92.5
Redundancy	19.7
CC(1/2)	0.999	0.528

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Tacsimate pH 7