4DEP

Structure of the IL-1b signaling complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-08
Detector	ADSC Q315R
Spacegroup name	P 1 21 1
Unit cell lengths	105.990, 65.900, 163.400
Unit cell angles	90.00, 90.35, 90.00

Refinement procedure

Resolution	19.700 - 3.100
R-factor	0.213
Rwork	0.210
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.523
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700	3.200
High resolution limit [Å]	3.100	3.100
Rmerge	0.068	0.361
Number of reflections	41079
<I/σ(I)>	10.5	2.2
Completeness [%]	96.3	98.7
Redundancy	1.7	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	293	12% PEG 5000 MME, 100 mM MES pH 6.5, 12% 1-propanol, protein at 12 mg/mL, VAPOR DIFFUSION, HANGING DROP, temperature 293K