4LBN

Crystal structure of Human galectin-3 CRD in complex with LNnT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	293
Detector technology	CCD
Collection date	2008-01-01
Detector	BRUKER SMART 6000
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	36.551, 57.875, 63.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.760 - 1.700
R-factor	0.1558
Rwork	0.155
R-free	0.17790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3k
RMSD bond length	0.012
RMSD bond angle	1.500
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.778	57.875	1.790
High resolution limit [Å]	1.491	5.380	1.700
Rmerge		0.055	0.155
Total number of observations		6949	4161
Number of reflections	14618
<I/σ(I)>	19.8	9.3	4
Completeness [%]	94.8	99.8	72.3
Redundancy	7.2	12.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	31% PEG 6000, 100MM MGCL2, 8MM BETA MERCEPTOETHANOL, 100MM TRIS HCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K