6BWK

Crystal structure of the human MLKL pseudokinase domain T357E/S358E mutant

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	CCD
Collection date	2013-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 2 2 21
Unit cell lengths	72.114, 74.723, 127.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.257 - 2.790
R-factor	0.257
Rwork	0.255
R-free	0.29720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mwi
RMSD bond length	0.007
RMSD bond angle	0.769
Data reduction software	XDS (Jun 1, 2017)
Data scaling software	XDS (Jun 1, 2017)
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.970
High resolution limit [Å]	2.790	2.790
Rmeas	0.235	4.540
Number of reflections	8516	1168
<I/σ(I)>	8.28
Completeness [%]	97.3	84.2
Redundancy	6.8	5.2
CC(1/2)	0.997	0.141

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	5% w/v polyethylene glycol 8000, 20% v/v polyethylene glycol 300, 0.1M Tris chloride pH 8.5, 10% v/v glycerol