9LFW

Crystal structure of mouse RIP3 kinase domain(R69H) complexed with LK01003

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	48.572, 64.785, 92.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.110 - 1.590
R-factor	0.2039
Rwork	0.202
R-free	0.23840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
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]	53.010	1.680
High resolution limit [Å]	1.590	1.590
Rmerge	0.121	2.069
Rmeas	0.140	2.554
Rpim	0.070	1.473
Number of reflections	39200	5706
<I/σ(I)>	8.4
Completeness [%]	100.0
Redundancy	7	5.2
CC(1/2)	0.998	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Ammonium acetate, 0.1 M MES, 30% v/v Glycerol ethoxylate, pH 6.5