4A2Y

STRUCTURE OF THE HUMAN EOSINOPHIL CATIONIC PROTEIN IN COMPLEX WITH CITRATE ANIONS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-18
Detector	MARRESEARCH
Spacegroup name	P 43 2 2
Unit cell lengths	62.511, 62.511, 174.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.500 - 1.700
R-factor	0.19283
Rwork	0.191
R-free	0.21964
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dyt
RMSD bond length	0.027
RMSD bond angle	2.280
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.500	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.500
Number of reflections	36817
<I/σ(I)>	18.2	2.9
Completeness [%]	99.2	98.1
Redundancy	6.9	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.2		0.1 M NA CITRATE, PH 5.2, 6% JEFFAMINE M-600, 10 MM KH2PO4/K2HPO4, PH 7, 10 MM FECL3.