1IAC

REFINED 1.8 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF ASTACIN, A ZINC-ENDOPEPTIDASE FROM THE CRAYFISH ASTACUS ASTACUS L. STRUCTURE DETERMINATION, REFINEMENT, MOLECULAR STRUCTURE AND COMPARISON WITH THERMOLYSIN

Experimental procedure

Spacegroup name	P 31 2 1
Unit cell lengths	61.920, 61.920, 98.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.16
Rwork	0.160
RMSD bond length	0.016
RMSD bond angle	2.271
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]		2.200 *
Rmerge	0.085 *
Total number of observations	27702 *
Number of reflections	10213 *
Completeness [%]	98.6 *	46.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	4 *

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)