8PBF

Galectin-3C in complex with a triazolesulfane derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.6358
Spacegroup name	P 21 21 21
Unit cell lengths	36.470, 57.005, 61.927
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.460 - 1.140
R-factor	0.1503
Rwork	0.149
R-free	0.17620
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.147
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.21rc1_4933)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.500	1.180
High resolution limit [Å]	1.140	1.140
Rmerge	0.156	1.443
Number of reflections	46849	4238
<I/σ(I)>	6.75
Completeness [%]	98.8	89.6
Redundancy	6.6	6.4
CC(1/2)	0.997	0.458

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	20% (w/v) PEG 4000, Tris-HCl pH 7.5, 0.4 M NaSCN, 10 mM beta-mercaptoethanol