4Y20

Complex of human Galectin-1 and NeuAcalpha2-3Galbeta1-4Glc

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	2013-12-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	P 21 21 21
Unit cell lengths	42.942, 58.345, 111.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.871 - 2.204
R-factor	0.2129
Rwork	0.209
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.693
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge	0.052	0.029	0.203
Rmeas	0.056	0.032	0.220
Rpim	0.021	0.011	0.084
Total number of observations	93161
Number of reflections	14339
<I/σ(I)>	16.7
Completeness [%]	96.7	99.6	91.2
Redundancy	6.5	7.4	6.2
CC(1/2)		1.000	0.988

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