6F6Y

Crystal structure of galectin-3 CRD in complex with galactopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	36.060, 58.200, 62.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.699 - 1.410
R-factor	0.1183
Rwork	0.116
R-free	0.15330
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3zsk
RMSD bond length	0.005
RMSD bond angle	1.240
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.700	1.490
High resolution limit [Å]	1.410	1.410
Rmerge	0.053	0.351
Number of reflections	25876
<I/σ(I)>	19.8
Completeness [%]	98.2	90.2
Redundancy	5.9	4.2
CC(1/2)	0.999	0.885

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	19 mg/ml Gal3C in 10 mM sodium phosphate buffer pH 7.5, 100 mM NaCl, 10 mM beta-mercaptoethanol, 0.02 % NaN3. 3.5 microlitres Gal3C were mixed with 3.5 microlitres 100 mM galactopentaose solution and incubated on ice for one hour. Crystals were obtained in 30% w/v PEG 4000, 0.1 M Tris/HCl pH 7.5, 0.1M MgCl2, 0.4M NaSCN, 8 mM beta-mercaptoethanol. Cryoprotectant contained an additional 11% glycerol.