4BLJ

Galectin-3c in complex with Bisamido-thiogalactoside derivate 2

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	2008-09-25
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	36.240, 57.880, 62.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.200
R-factor	0.123
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3k
RMSD bond length	0.012
RMSD bond angle	0.030
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.230
High resolution limit [Å]	1.200	1.200
Rmerge	0.050	0.540
Number of reflections	40084
<I/σ(I)>	15.8	2.7
Completeness [%]	97.3	94.9
Redundancy	5.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		19 MG/ML GALECTIN-3C, 100MM NACL,100 MM LACTOSE, 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, 5 MM LIGAND