7MX3

Crystal structure of human RIPK3 complexed with GSK'843

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	2021-03-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	104.823, 104.823, 126.677
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.120 - 3.230
R-factor	0.2441
Rwork	0.239
R-free	0.28550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	hRIPK3 from hRIPK3:hMLKL complex structure
RMSD bond length	0.003
RMSD bond angle	0.735
Data reduction software	DIALS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.759	3.697
High resolution limit [Å]	3.229	3.229
Rmerge	0.259	1.031
Rmeas	0.283	1.142
Rpim	0.113	0.484
Number of reflections	10790	540
<I/σ(I)>	3.4	1.5
Completeness [%]	90.7	56.9
Redundancy	6.3
CC(1/2)	0.979	0.451

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	281.15	0.2 M magnesium chloride, 25% (w/v) polyethylene glycol 3350, 0.1 M Tris pH 8.5