4Y1Y

Complex of human Galectin-1 and (6OSO3)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	2014-07-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	42.695, 58.340, 112.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.237 - 1.860
R-factor	0.2001
Rwork	0.197
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.495
Data scaling software	HKL-2000
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	1.930
High resolution limit [Å]	1.860	4.000	1.860
Rmerge	0.055	0.042	0.230
Rmeas	0.058	0.044	0.243
Rpim	0.018	0.013	0.075
Total number of observations	266781
Number of reflections	24137
<I/σ(I)>	15.9
Completeness [%]	99.1	99.7	93.4
Redundancy	11.1	10.7	10
CC(1/2)		0.999	0.989

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