8YM6

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	2017-02-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	150.311, 158.640, 353.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.640 - 3.300
R-factor	0.2207
Rwork	0.218
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.562
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.420
High resolution limit [Å]	3.300	7.080	3.300
Rmerge	0.093	0.034	0.739
Rmeas		0.041	0.903
Rpim		0.022	0.510
Number of reflections	61626	6004	5962
<I/σ(I)>	12.757
Completeness [%]	96.8	90.4	94.8
Redundancy	3.3	3.4	2.8
CC(1/2)		0.998	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.1 M HEPES pH 7.5, 0.2 M Lithium chloride, 20 % PEG 400, 0.1 M TBG pH 9.0