28RK

Crystal structure of the human galectin-1 in complex with Methyl 3-O-toluensulfonyl-beta-D-galactopyranoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	43.756, 57.785, 111.764
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.610 - 2.000
R-factor	0.22529
Rwork	0.223
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.610	2.071
High resolution limit [Å]	2.000	2.000
Number of reflections	19125	1722
<I/σ(I)>	11.6
Completeness [%]	96.3
Redundancy	10.8
CC(1/2)	0.998	0.583

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200 mM lithium sulphate, 100mM TRIS pH 8.5, PEG 3350 32%, 10mM beta-mercaptoethanol