9LVG

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

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	154.936, 51.355, 106.188
Unit cell angles	90.00, 132.57, 90.00

Refinement procedure

Resolution	39.100 - 2.030
R-factor	0.2177
Rwork	0.217
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.603
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]	77.270	2.140
High resolution limit [Å]	2.030	2.030
Rmerge	0.047	0.574
Rmeas	0.051	0.636
Rpim	0.020	0.270
Total number of observations		30525
Number of reflections	76693	5722
<I/σ(I)>	19	2.8
Completeness [%]	99.1
Redundancy	6.6	5.3
CC(1/2)	1.000	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	50 mM magnesium formate, 10-20% PEG 3350, pH 5.0-7.0