6VC0

Crystal structure of the horse 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	2019-04-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	155.532, 124.775, 81.053
Unit cell angles	90.00, 112.75, 90.00

Refinement procedure

Resolution	43.953 - 2.746
R-factor	0.1747
Rwork	0.171
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mwi
RMSD bond length	0.014
RMSD bond angle	1.279
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.953	43.953	2.900
High resolution limit [Å]	2.740	8.110	2.740
Rmerge	0.189	0.057	1.403
Rmeas	0.204	0.062	1.526
Total number of observations	256927
Number of reflections	37172	1482	5604
<I/σ(I)>	8.93	28.94	1.11
Completeness [%]	98.5	98.7	92.3
Redundancy	6.912	6.824	6.392
CC(1/2)	0.993	0.998	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	2 M ammonium sulphate, 0.1 M sodium HEPES pH 7.5