3VV1

Crystal Structure of Caenorhabditis elegans galectin LEC-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9800
Spacegroup name	P 63
Unit cell lengths	69.323, 69.323, 120.131
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.500
R-factor	0.1486
Rwork	0.147
R-free	0.17930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.918
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.096	0.068	0.651
Number of reflections	51811
<I/σ(I)>	8.4
Completeness [%]	99.2	99.5	98.4
Redundancy	5.6	5.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	25%(w/v) PEG3350, 100mM HEPES, 200mM MgCl2, pH 7.5, VAPOR DIFFUSION, temperature 289.0K