28SB

Crystal structure of the carbohydrate-recognition domain of R144S Galectin-3 mutant in complex with p-Methoxyphenyl 3-O-benzonyl-beta-D-galactopyranoside

This is a non-PDB format compatible entry.

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	2025-05-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	35.584, 56.851, 61.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.760 - 1.100
R-factor	0.21038
Rwork	0.209
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.795
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]	30.760	1.139
High resolution limit [Å]	1.100	1.100
Number of reflections	46160	4262
<I/σ(I)>	8.69
Completeness [%]	89.4
Redundancy	10.4
CC(1/2)	0.998	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100mM MgCl2, 100mM TRIS pH 8.5, 35% PEG 6000