3AX4

Three-dimensional structure of lectin from Dioclea violacea and comparative vasorelaxant effects with Dioclea rostrata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-27
Detector	MAR CCD 165 mm
Wavelength(s)	1.47
Spacegroup name	I 2 2 2
Unit cell lengths	61.340, 66.110, 106.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.319 - 2.613
R-factor	0.2302
Rwork	0.228
R-free	0.27370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	0.850
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall
Low resolution limit [Å]	34.380
High resolution limit [Å]	2.610
Number of reflections	6354
Completeness [%]	92.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	293	4.0M sodium formate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K