4BM8

Galectin-3c in complex with Bisamido-thiogalactoside derivate 3

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	2011-09-07
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	35.840, 58.240, 62.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 0.960
R-factor	0.125
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zsl
RMSD bond length	0.006
RMSD bond angle	0.023
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	0.980
High resolution limit [Å]	0.960	0.960
Rmerge	0.030	0.560
Number of reflections	79320
<I/σ(I)>	20.9	2
Completeness [%]	98.0	92.3
Redundancy	5.2	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		19 MG/ML GALECTIN-3C, 100MM NACL, 29 % W/V PEG 4000, 0.4 M NASCN, 18 MM BETA-MERCAPTOETHANOL,0.02 % NAN3, 10 MM PHOSHATE, 100 MM MGCL2, 100 MM TRIS/HCL PH 7.5, 2.5 MM LIGAND