8JA8

Crystal structure of Mycobacterium tuberculosis LpqY with trehalose bound in a closed liganded form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-17
Detector	CS-PAD XPP
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	57.961, 62.962, 144.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.200 - 1.600
Rwork	0.168
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.381
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.070
Number of reflections	70508	6972
<I/σ(I)>	12.13
Completeness [%]	99.8
Redundancy	6.9
CC(1/2)	0.999	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	50 mM Magnesium sulfate hydrate, 50 mM HEPES sodium pH 7.0 and 1.6 M Lithium sulfate monohydrate