4XBN

Crystal Structure of Human Galectin-3 CRD in Complex with Type 1 N-acetyllactosamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	P 21 21 21
Unit cell lengths	37.070, 57.632, 63.239
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.964 - 2.208
R-factor	0.1683
Rwork	0.165
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nmn
RMSD bond length	0.005
RMSD bond angle	0.996
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.290
High resolution limit [Å]	2.208	2.208
Rmerge	0.051	0.132
Number of reflections	7191
<I/σ(I)>	33.3	18.2
Completeness [%]	99.5	95.45
Redundancy	7.65	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1M Tris pH8.5, 0.2M Magnesium Chloride, 30% (w/v) PEG 4000, temperature 298K