4GAF

Crystal structure of EBI-005, a chimera of human IL-1beta and IL-1Ra, bound to human Interleukin-1 receptor type 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-14
Detector	RAYONIX MX-300
Wavelength(s)	0.9755
Spacegroup name	C 2 2 21
Unit cell lengths	60.350, 149.270, 126.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.860 - 2.150
R-factor	0.2183
Rwork	0.215
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.983
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.061	0.035	0.560
Number of reflections	31476
<I/σ(I)>	12.8
Completeness [%]	99.9	98.9	100
Redundancy	5.6	5.4	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20% PEG 3350, 100 mM Tris, 200 mM lithium citrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.0