1FZZ

THE CRYSTAL STRUCTURE OF THE COMPLEX OF NON-PEPTIDIC INHIBITOR ONO-6818 AND PORCINE PANCREATIC ELASTASE.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-03-10
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	51.038, 58.500, 75.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.860
R-factor	0.198 *
Rwork	0.198
R-free	0.23800
RMSD bond length	0.005
RMSD bond angle	1.330
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.920
High resolution limit [Å]	1.860	1.860
Rmerge	0.055	0.371
Number of reflections	19409
<I/σ(I)>	9.78
Completeness [%]	98.6	96 *
Redundancy	5.38	4.41

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	Sodium sulfate, Sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium sulfate	100 (mg/ml)