1INC

CRYSTAL STRUCTURES OF THE COMPLEX OF PORCINE PANCREATIC ELASTASE WITH TWO VALINE-DERIVED BENZOXAZINONE INHIBITORS

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	52.100, 58.000, 75.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 * - 1.760 *
R-factor	0.172 *
Rwork	0.172
RMSD bond length	0.020
RMSD bond angle	2.800
Refinement software	EREF

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	1.760 *	1.760 *
Rmerge	0.068 *
Total number of observations	48138 *
Number of reflections	17309 *
Completeness [%]	44.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	inhibitor	15 (mg/ml)
2	1	1	ethyl ether
3	1	1	protein	2 (%(w/v))
4	1	1	sodium azide	0.02 (%(w/v))
5	1	1	sodium acetate	0.1 (M)
6	1	2	sodium sulfate	0.1 (M)