9OT8

Crystal structure of Galectin-3 bound to FN3con-9 and FN3con-41, a cooperative binder that recognises the Galectin-3-FN3con-9 interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	68.311, 68.311, 171.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.480 - 1.960
R-factor	0.2225
Rwork	0.221
R-free	0.25540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.874
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.311	2.284
High resolution limit [Å]	1.958	1.958
Rpim	0.062	0.394
Number of reflections	13843	692
<I/σ(I)>	9.7	1.9
Completeness [%]	90.7	73
Redundancy	12.2
CC(1/2)	0.998	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG 8000, 0.2 M Magnesium acetate, 0.1 M Sodium cacodylate pH 6.5