1ENR

CO-CRYSTALS OF DEMETALLIZED CONCANAVALIN A WITH ZINC AND CALCIUM HAVING A ZINC ION BOUND IN THE S1 SITE AND A CALCIUM ION BOUND IN THE S2 SITE

Experimental procedure

Detector technology	DIFFRACTOMETER
Collection date	1995-06-13
Detector	ENRAF-NONIUS FAST
Spacegroup name	I 2 2 2
Unit cell lengths	63.090, 87.080, 89.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800 *
R-factor	0.1761
Rwork	0.176
RMSD bond length	0.009
RMSD bond angle	27.357 *
Data reduction software	MADNES
Data scaling software	CCP4
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	11.700
High resolution limit [Å]	1.800
Rmerge	0.062
Total number of observations	158149 *
Number of reflections	21738 *
Completeness [%]	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.1 *		pH 7.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1		1.8 (M)
2	1	1		200 (mM)
3	1	2	metal-free ConA	6 (mg/ml)
4	1	2		30 (mM)
5	1	2		30 (mM)