28RB

Crystal structure of the human galectin-1 in complex with p-Methoxyphenyl 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	2024-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	43.386, 57.820, 112.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.730 - 1.730
R-factor	0.22511
Rwork	0.223
R-free	0.26397
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.549
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]	34.730	1.792
High resolution limit [Å]	1.730	1.730
Number of reflections	28623	2958
<I/σ(I)>	6.4
Completeness [%]	94.6
Redundancy	11
CC(1/2)	0.995	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200mM lithium sulphate, 100mM TRIS pH 8.5, PEG3350 35%, 10 mM beta-mercaptoehanol