6UX8

Structure of monobody 33 MLKL N-terminal domain complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	58.294, 59.418, 68.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.760 - 2.500
R-factor	0.2495
Rwork	0.247
R-free	0.29610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d0j 4btf
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.040	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.172	1.506
Rmeas	0.191	1.688
Rpim	0.081	0.745
Total number of observations	46234	4761
Number of reflections	8590	937
<I/σ(I)>	7	1.2
Completeness [%]	99.8	99.5
Redundancy	5.4	5.1
CC(1/2)	0.995	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25% PEG-MME 550, 0.1 M MES pH 6.5, 0.01 M Zinc acetate