6TF7

Human galectin-3c in complex with a galactose derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-27
Detector	MAR CCD 165 mm
Wavelength(s)	1.03841
Spacegroup name	P 21 21 21
Unit cell lengths	36.140, 58.160, 62.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.080 - 1.400
R-factor	0.1374
Rwork	0.135
R-free	0.18720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zsl
RMSD bond length	0.019
RMSD bond angle	2.184
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]	29.080	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.048	0.519
Number of reflections	26601	1923
<I/σ(I)>	24
Completeness [%]	99.6
Redundancy	5.8

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