4Y22

Complex of human Galectin-1 and (3OSO3)Galbeta1-3GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	P 21 21 21
Unit cell lengths	44.410, 58.184, 112.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.853 - 2.500
R-factor	0.2348
Rwork	0.230
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.703
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.106	0.056	0.472
Rmeas	0.115	0.061	0.510
Rpim	0.044	0.024	0.188
Total number of observations	75087
Number of reflections	10720
<I/σ(I)>	9.4
Completeness [%]	98.9	99.4	93
Redundancy	7	6.7	6.6
CC(1/2)		0.997	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M Tris (pH 8.0), 0.2 M Li2SO4, 30% (w/v) PEG 3350