9EST

STRUCTURAL STUDY OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH 7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOUMARIN AS A NONREACTIVATABLE DOUBLY COVALENT ENZYME-INHIBITOR COMPLEX

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	51.130, 58.140, 75.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.900
R-factor	0.171
RMSD bond length	0.010
RMSD bond angle	1.120
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	6.000 *
High resolution limit [Å]	1.900 *	1.900 *
Rmerge		0.151 *
Number of reflections	11586 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PPE	1.2 (%(w/v))
2	1	1	7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin
3	1	2	sodium phosphate	0.1 (M)
4	1	2	acetonitrile	7 (%)