7NOY

Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium tuberculosis in complex with substrate 1-hydroxyquinolin-4(1H)-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000043
Spacegroup name	P 31 2 1
Unit cell lengths	70.086, 70.086, 95.048
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.160 - 1.800
R-factor	0.185
Rwork	0.183
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bgg
RMSD bond length	0.010
RMSD bond angle	1.010
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]	60.696	1.541
High resolution limit [Å]	1.508	1.508
Number of reflections	42031	2104
<I/σ(I)>	19.8
Completeness [%]	98.1
Redundancy	10.6
CC(1/2)	0.999	0.742

Crystallization Conditions

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