8SLZ

Crystal structure of phosphorylated (T357/S358) human MLKL pseudokinase domain

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	2022-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953732
Spacegroup name	C 2 2 21
Unit cell lengths	70.811, 74.961, 127.227
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.020 - 2.300
R-factor	0.2038
Rwork	0.200
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.678
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.720	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.071	0.964
Rmeas	0.077	1.007
Rpim	0.030	0.392
Number of reflections	15077	1427
<I/σ(I)>	16.21
Completeness [%]	98.1
Redundancy	6.7	6.9
CC(1/2)	0.999	0.748

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.1 M HEPES pH 7.5, 20%w/v PEG 8000