4BLI

Galectin-3c in complex with Bisamido-thiogalactoside derivate 1

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 MAR 165
Spacegroup name	P 21 21 21
Unit cell lengths	36.020, 58.050, 62.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.080
R-factor	0.1064
R-free	0.14160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3k
RMSD bond length	0.014
RMSD bond angle	0.032
Data reduction software	XDS
Data scaling software	SHELXL
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.110
High resolution limit [Å]	1.080	1.080
Rmerge	0.040	0.120
Number of reflections	56420
<I/σ(I)>	22.2	10.2
Completeness [%]	99.2	97.5
Redundancy	5	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		19 MG/ML GALECTIN-3C, 100MM NACL, 0.1 M TRIS/HCL PH 7.5, 29 % PEG 4000, 0.4 M NASCN, 18 MM BETA-MERCAPTOETHANOL, 5 MM COMPOUND GMK