8YM4

Structure of Caspase-8/cFLIP death effector domain assembly

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97942
Spacegroup name	P 21 21 21
Unit cell lengths	82.266, 167.448, 179.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.840 - 2.340
R-factor	0.2079
Rwork	0.206
R-free	0.25250
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.707
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.420
High resolution limit [Å]	2.340	5.030	2.340
Rmerge	0.094	0.061	0.358
Rmeas		0.065	0.389
Rpim		0.024	0.147
Number of reflections	102320	10860	9096
<I/σ(I)>	22.935
Completeness [%]	97.9	99.4	88
Redundancy	7.6	7.1	6.8
CC(1/2)		0.998	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1 M MES pH 6.5, 0.08 M sodium chloride, 0.2 M Potassium Thiocyanate, 10 % PEG 4000, 0.01 M TCEP