2C05

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
Source details	ENRAF-NONIUS
Temperature [K]	203
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	52.420, 56.530, 41.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.860
R-factor	0.185
Rwork	0.185
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqv
RMSD bond length	0.006
RMSD bond angle	1.390
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	1.930
High resolution limit [Å]	1.860	1.860
Rmerge	0.080	0.390
Number of reflections	10540
<I/σ(I)>	16.5	2.7
Completeness [%]	96.8	95.9
Redundancy	7.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50