1I3H

CONCANAVALIN A-DIMANNOSE STRUCTURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2000-01-01
Detector	MAC Science DIP-2000
Spacegroup name	I 2 2 2
Unit cell lengths	90.900, 86.410, 65.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.200
R-factor	0.1697
Rwork	0.167
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.820 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.300
High resolution limit [Å]	1.200	1.200
Rmerge	0.112	0.453
Number of reflections	76521
Completeness [%]	87.2	89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7 *	298	PEG 6000, citirc acid, manganese chloride, calcium chloride, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7 *	298	PEG 6000, citirc acid, manganese chloride, calcium chloride, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7 *	298	PEG 6000, citirc acid, manganese chloride, calcium chloride, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	mannobiose	18 (mM)
2	1	drop	jack bean concanavalin A	0.6 (mM)
3	1	drop		1 (mM)
4	1	drop	Tris	20 (mM)
5	1	drop		0.1 (M)
6	1	reservoir	PEG6000	10 (%(w/v))
7	1	reservoir	citric acid	0.1 (M)
8	1	drop		1 (mM)