3ZSJ

Crystal structure of Human Galectin-3 CRD in complex with Lactose at 0.86 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-5
Synchrotron site	MAX II
Beamline	I911-5
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-13
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	35.750, 58.300, 63.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 0.860
R-factor	0.1269
R-free	0.14220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xg3
RMSD bond length	0.017
RMSD bond angle	0.042
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	0.880
High resolution limit [Å]	0.860	0.860
Rmerge	0.050	0.850
Number of reflections	111079
<I/σ(I)>	19.3	1.8
Completeness [%]	98.9	95.4
Redundancy	6.13	4.03

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		30% PEG 4000, 0.1M MGCL2, 0.008M BETA MERCAPTOETHANOL, 0.1M TRIS-HCL, PH 7.5, 0.4M NASCN