8PPN

Galectin-3 carbohydrate recognition domain in complex with thiodigalactoside at 1.8 resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	35.969, 57.350, 62.225
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.170 - 1.800
R-factor	0.27149
Rwork	0.267
R-free	0.34611
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.651
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.170	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	11982	691
<I/σ(I)>	17.2
Completeness [%]	96.7
Redundancy	5
CC(1/2)	0.967	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris-HCl, pH 8.5, 0.2 M MgCl2, 35% w/v PEG8000