2XG3

Human galectin-3 in complex with a benzamido-N-acetyllactoseamine inhibitor

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]	105
Detector technology	CCD
Collection date	2009-03-20
Detector	MARRESEARCH SX-165
Spacegroup name	P 21 21 21
Unit cell lengths	35.800, 57.690, 62.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.200
R-factor	0.1385
R-free	0.19340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	GALECTIN-3C IN COMPLEX WITH COMPOUND 354
RMSD bond length	0.011
RMSD bond angle	0.031
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXL
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.230
High resolution limit [Å]	1.200	1.200
Rmerge	0.080	0.660
Number of reflections	41094
<I/σ(I)>	11.5	2.2
Completeness [%]	99.6	96.9
Redundancy	6.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.5