1IAA

CRYSTAL STRUCTURES, SPECTROSCOPIC FEATURES, AND CATALYTIC PROPERTIES OF COBALT(II), COPPER(II), NICKEL(II), AND MERCURY(II) DERIVATIVES OF THE ZINC ENDOPEPTIDASE ASTACIN. A CORRELATION OF STRUCTURE AND PROTEOLYTIC ACTIVITY

Experimental procedure

Spacegroup name	P 31 2 1
Unit cell lengths	62.000, 62.000, 98.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.156
Rwork	0.156
RMSD bond length	0.008
RMSD bond angle	2.133
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.560 *
High resolution limit [Å]	1.900 *	1.910 *
Rmerge	0.054 *
Total number of observations	25816 *
Number of reflections	14832 *
Completeness [%]	89.9 *	44.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	4 *	taken from Gomis-Ruth(1993). J. Mol. Biol., 229, 945-968. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.3-0.6 (mM)	0.005ml
2	1	drop	ammonium sulfate	1.1 (M)	0.0015ml
3	1	drop	phosphate	0.1 (M)
4	1	reservoir	ammonium sulfate	1 (M)