2ENR

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

Experimental procedure

Temperature [K]	291
Detector technology	DIFFRACTOMETER
Collection date	1993-06-13
Detector	ENRAF-NONIUS FAST
Spacegroup name	I 2 2 2
Unit cell lengths	63.200, 87.690, 89.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.350
R-factor	0.1731
Rwork	0.173
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1con
RMSD bond length	0.019
RMSD bond angle	28.080 *
Data reduction software	MADNESS
Data scaling software	CCP4 ((ROTAVATA))
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000 *	2.450
High resolution limit [Å]	2.350 *	2.350 *
Rmerge	0.054 *	0.157 *
Total number of observations	30650 *
Number of reflections	10111 *
<I/σ(I)>	11.2	3.1
Completeness [%]	95.3 *	75.1 *
Redundancy	3.2	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5		pH 5.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	reservoir	ammonium sulfate	2 (M)
3	1	reservoir	sodium acetate	100 (mM)
4	1	reservoir	PEG6000	5 (%)