7XFA

Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	36.824, 58.187, 63.118
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.350 - 0.980
R-factor	0.1917
Rwork	0.191
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cxa
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.830	1.010
High resolution limit [Å]	0.980	0.980
Rmerge	0.074
Number of reflections	75866	3833
<I/σ(I)>	12.8
Completeness [%]	96.5
Redundancy	5.2
CC(1/2)	0.991	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	28-35% PEG 4000/6000, 0.1M Tris (pH 7.5 - pH 8.5), 0.1M MgCl2, 0.4M NaSCN