8OJO

Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-10-23
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	35.920, 58.090, 62.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.160 - 1.800
R-factor	0.13822
Rwork	0.136
R-free	0.17595
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.709
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.160	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	12637	708
<I/σ(I)>	26.2
Completeness [%]	99.9
Redundancy	4.9
CC(1/2)	0.997	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1 M Tris-HCl, pH 8.5, 0.2 M MgCl2, and 35% w/v PEG 8000