2C01

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 PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	203
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	52.700, 56.710, 41.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.240
R-factor	0.188
Rwork	0.188
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gqv
RMSD bond length	0.004
RMSD bond angle	1.360
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.280
High resolution limit [Å]	1.240	1.240
Rmerge	0.050	0.130
Number of reflections	36418
<I/σ(I)>	32.1	13.7
Completeness [%]	99.1	100
Redundancy	10.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.50