4HL0

Crystal structure of full-length Toxascaris leonina galectin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-19
Detector	ADSC QUANTUM 270
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	78.573, 82.827, 122.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.254
Rwork	0.254
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge		0.102
Number of reflections	54560
<I/σ(I)>		25.7
Completeness [%]	95.0	95
Redundancy		9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	10% 2-propanol, 0.1M MES buffer pH 6.0, 0.2M Ca(OAc)2, VAPOR DIFFUSION, HANGING DROP, temperature 293K