6Y4C

Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	298
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9800
Spacegroup name	P 21 21 21
Unit cell lengths	36.660, 58.050, 63.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.910 - 1.700
R-factor	0.1484
Rwork	0.145
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eym
RMSD bond length	0.007
RMSD bond angle	0.877
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHENIX
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	1.750
High resolution limit [Å]	1.700	1.700
Number of reflections	15552	1660
<I/σ(I)>	5.66	2.5
Completeness [%]	99.9
Redundancy	139
CC(1/2)	0.959	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	Crystals were grown on an XtalTool support (Jena Bioscience) over a 24 well VDX-plate with 1 ml reservoir. The drop consisted of 1 microlitre 20 mg/ml protein in 10 mM sodium phosphate pH 7.4, 100 mM NaCl, 10 mM beta-mercaptoethanol, 2 mM lactose), 0.25 microlitre of seed crystals in a stabilization solution containing 0.1 M Tris pH 7.5, 33% (w/v) PEG 4000, 0.1 M MgCl2, 0.2 M NaSCN) and 0.75 microlitre reservoir solution containing 0.1 M Tris pH 7.5, 30% PEG 4000, 0.05 M MgCl2, 0.2 M NaSCN and 8 mM beta-mercaptoethanol.