9IX1

Crystal structure of the mouse RIP3 kinase domain in complexed with PP2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-30
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9790
Spacegroup name	C 1 2 1
Unit cell lengths	155.897, 51.147, 106.839
Unit cell angles	90.00, 132.72, 90.00

Refinement procedure

Resolution	39.240 - 2.310
R-factor	0.2212
Rwork	0.219
R-free	0.25520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m66
RMSD bond length	0.005
RMSD bond angle	0.860
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.490	2.430
High resolution limit [Å]	2.310	2.310
Rmerge	0.078	0.474
Rmeas	0.089	0.569
Rpim	0.042	0.311
Total number of observations	113945	12950
Number of reflections	27060	4000
<I/σ(I)>	12.5	2.9
Completeness [%]	98.3
Redundancy	4.2	3.2
CC(1/2)	0.996	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10-20% FEG3350, 50 mM magnesium formate, pH 5.0-7.5