7BE3

Human Galectin-3 in complex with LacdiNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 21
Unit cell lengths	36.039, 58.048, 62.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.190 - 1.250
R-factor	0.1717
Rwork	0.170
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zsl
RMSD bond length	0.004
RMSD bond angle	0.842
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.190	1.295
High resolution limit [Å]	1.250	1.250
Number of reflections	36869	3611
<I/σ(I)>	20.71
Completeness [%]	99.8
Redundancy	7.8
CC(1/2)	1.000	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	32% PEG 4000, 100 mM Tris-HCl pH 7.5, 100 mM Magnesium chloride, 8 mM beta-mercaptoethanol