7W2I

Crystal structure of LOG (Rv1205) from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	67.958, 75.976, 134.953
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.930 - 1.800
R-factor	0.1677
Rwork	0.165
R-free	0.21390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qua
RMSD bond length	0.011
RMSD bond angle	1.614
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.930	1.850
High resolution limit [Å]	1.800	1.800
Number of reflections	65281	3650
<I/σ(I)>	14
Completeness [%]	99.6
Redundancy	9.8
CC(1/2)	0.997	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 25% (w/v) PEG 3,350.