2C02

Crystal Structures of Eosinophil-derived Neurotoxin in Complex with the Inhibitors 5'-ATP, Ap3A, Ap4A and Ap5A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	203
Spacegroup name	P 21 21 21
Unit cell lengths	52.700, 56.370, 41.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.19
Rwork	0.190
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqv
RMSD bond length	0.006
RMSD bond angle	1.370
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.050	0.320
Number of reflections	8785
<I/σ(I)>	12.2	3.1
Completeness [%]	99.2	99.1
Redundancy	3.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50