1EZS

CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-01-12
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1
Unit cell lengths	45.828, 59.682, 71.044
Unit cell angles	103.57, 93.27, 94.62

Refinement procedure

Resolution	25.000 - 2.300
R-factor	0.188
Rwork	0.188
R-free	0.23500
RMSD bond length	0.013
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	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.088	0.196
Total number of observations	61752 *
Number of reflections	29967
<I/σ(I)>	5.8
Completeness [%]	92.9	87.2
Redundancy	2.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	18 *	protein: 15mg/ml complex in 10mM Tris pH 8.0 well: 0.15M Sodium Cacodylate, 0.3M Sodium Acetate, 14% Peg 4K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Na-cacodylate	0.15 (M)
2	1	reservoir	Na acetate	0.3 (M)
3	1	reservoir	PEG4000	14 (%)