8OJK

Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-10-24
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	36.090, 57.660, 61.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.090 - 1.800
R-factor	0.15989
Rwork	0.157
R-free	0.21541
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.538
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]	36.090	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	12469	714
<I/σ(I)>	14.7
Completeness [%]	99.8
Redundancy	5.4
CC(1/2)	0.996	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1M Tris-HCl pH 8.5, 0.2MgCl2, 35% PEG8000