6RZI

Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:1(Hydrogen)

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	2019-01-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.652
Spacegroup name	P 21 21 21
Unit cell lengths	36.152, 56.822, 61.591
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.411 - 1.095
R-factor	0.1558
Rwork	0.154
R-free	0.18450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zsl
RMSD bond length	0.015
RMSD bond angle	1.413
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.410	1.135
High resolution limit [Å]	1.095	1.095
Number of reflections	52849	5170
<I/σ(I)>	11.62
Completeness [%]	99.8
Redundancy	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 4000, 0.1 M Tris/HCl pH 7.5, 0.4 M NaSCN, 7.9 mM beta-mercaptoethanol