9LVH

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

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	2023-04-13
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	152.424, 51.247, 104.907
Unit cell angles	90.00, 131.85, 90.00

Refinement procedure

Resolution	28.880 - 2.380
R-factor	0.2507
Rwork	0.250
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.932
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]	52.430	2.510
High resolution limit [Å]	2.380	2.380
Rmerge	0.096	0.941
Rmeas	0.105	1.025
Rpim	0.042	0.402
Total number of observations	155484	23225
Number of reflections	24599	3580
<I/σ(I)>	11.6	2.4
Completeness [%]	99.9
Redundancy	6.3	6.5
CC(1/2)	0.998	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10-20% PEG3350, 50 mM magnesium formate, pH 5.0-7.0