9IWX

Crystal structure of the mouse RIP3 kinase domain(R69H) in complexed with GSK'872

This is a non-PDB format compatible entry.

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	2022-09-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97914
Spacegroup name	C 1 2 1
Unit cell lengths	150.047, 49.061, 103.968
Unit cell angles	90.00, 131.36, 90.00

Refinement procedure

Resolution	34.290 - 1.990
R-factor	0.1892
Rwork	0.187
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m66
RMSD bond length	0.010
RMSD bond angle	1.053
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.780	2.100
High resolution limit [Å]	1.990	1.990
Rmerge	0.063	0.492
Rmeas	0.076	0.590
Rpim	0.042	0.322
Total number of observations	123342	18142
Number of reflections	38744	5639
<I/σ(I)>	7.7	2.5
Completeness [%]	99.0
Redundancy	3.2	3.2
CC(1/2)	0.997	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	25% PEG1500, 100 mM MIB buffer, pH 7.0