6TF6

Human galectin-3c in complex with a galactose derivative

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	2013-12-19
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	35.850, 57.340, 62.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.020 - 1.500
R-factor	0.1194
Rwork	0.117
R-free	0.17430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zsm
RMSD bond length	0.020
RMSD bond angle	2.080
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.020	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	20755	1522
<I/σ(I)>	12.6
Completeness [%]	98.8
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	20 MG/ML GALECTIN-3C, 100MM NACL, 30 % W/V PEG 4000, 0.4 M NASCN, 10 MM BETA-MERCAPTOETHANOL, 10 MM PHOSHATE, 100 MM MGCL2, 100 MM TRIS/HCL PH 7.5, 4.5 MM LIGAND