3WO4

Crystal structure of the IL-18 signaling ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-21
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9800
Spacegroup name	P 21 21 21
Unit cell lengths	72.560, 111.560, 134.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 - 3.100
R-factor	0.1899
Rwork	0.188
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wo3
RMSD bond length	0.009
RMSD bond angle	1.170
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.210
High resolution limit [Å]	3.100	3.100
Rmerge	0.115	0.683
Number of reflections	20659
<I/σ(I)>	19.8	2.9
Completeness [%]	99.9	99.3
Redundancy	9.8	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	277	100mM Tris-HCl, 18% polyethylene glycol 4000, 200mM magnesium chloride, 40mM hexaamminecobalt (III) chloride, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K