1ECZ

PROTEASE INHIBITOR ECOTIN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	DIFFRACTOMETER
Collection date	1992-05-14
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	39.220, 84.860, 98.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.680
R-factor	0.195
Rwork	0.195
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ECOTIN PART OF ECOTIN-TRYPSIN COMPLEX
RMSD bond length	0.009
RMSD bond angle	27.640 *
Data reduction software	MADNES
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.700	2.800
High resolution limit [Å]	2.680	2.680
Rmerge	0.076
Number of reflections	7810
Completeness [%]	80.0	25.2
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *	24.5-25.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	ADA	50 (mM)
3	1	drop	Tris-HCl	50 (mM)
4	1	drop	PEG1500	20 (%(w/v))
5	1	drop	beta-octyl glucoside	0.10 (%(w/v))
6	1	reservoir	Tris-HCl	50 (mM)
7	1	reservoir	PEG1500	36 (%(w/v))