8YM5

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	2016-06-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	82.147, 166.224, 179.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.880 - 2.090
R-factor	0.1957
Rwork	0.194
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.143
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]	50.000	50.000	2.160
High resolution limit [Å]	2.090	4.500	2.090
Rmerge	0.054	0.032	0.279
Rmeas		0.038	0.328
Rpim		0.020	0.171
Number of reflections	143558	14621	13707
<I/σ(I)>	21.459
Completeness [%]	98.6	96.4	95.1
Redundancy	3.7	3.6	3.5
CC(1/2)		0.998	0.936

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