2BZZ

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	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	203
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	53.036, 56.965, 42.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 0.980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqv
RMSD bond length	0.007
RMSD bond angle	0.180
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.020
High resolution limit [Å]	0.980	0.980
Rmerge	0.076	0.136
Number of reflections	74196
<I/σ(I)>	23.1	11.1
Completeness [%]	94.4	91.2
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		pH 6.50