6VBZ

Crystal structure of the rat 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]	293.15
Detector technology	PIXEL
Collection date	2018-07-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 61 2 2
Unit cell lengths	190.057, 190.057, 77.759
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.577 - 2.192
R-factor	0.1843
Rwork	0.181
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mwi
RMSD bond length	0.010
RMSD bond angle	1.137
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.577	2.270
High resolution limit [Å]	2.190	2.190
Rmerge	0.103	1.328
Rmeas	0.108
Rpim	0.033
Number of reflections	42719	3608
<I/σ(I)>	17.9
Completeness [%]	99.9	99
Redundancy	20.2
CC(1/2)		0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	manganese chloride, polyethylene glycol 400, sodium MES