1EZU

ECOTIN Y69F, D70P BOUND TO D102N TRYPSIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1996-12-18
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	62.920, 82.749, 81.752
Unit cell angles	90.00, 97.24, 90.00

Refinement procedure

Resolution	25.000 - 2.400
R-factor	0.218
Rwork	0.218
R-free	0.26500
RMSD bond length	0.011
RMSD bond angle	26.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.078	0.346
Total number of observations	89735 *
Number of reflections	30337
<I/σ(I)>	6.9
Completeness [%]	93.0	84.1
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	22 *	protein: 15mg/ml in 10mM Tris pH 8.0 well: 16.5% Peg 4k, 0.15 M Sodium Cacodylate, 0.3M Sodium Acetate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	16.5 (%(w/v))
2	1	reservoir	Na cacodylate	0.15 (M)
3	1	reservoir	Na acetate	0.3 (M)