9LFU

Crystal structure of human RIP3 kinase domain 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	2024-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 64
Unit cell lengths	129.203, 129.203, 79.429
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.950 - 2.930
R-factor	0.2613
Rwork	0.258
R-free	0.31860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.795
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]	111.890	3.090
High resolution limit [Å]	2.930	2.930
Rmerge	0.200	4.233
Rmeas	0.206	4.338
Rpim	0.046	0.946
Total number of observations	333886	49225
Number of reflections	16341	2356
<I/σ(I)>	11.4	0.9
Completeness [%]	100.0
Redundancy	20.4	20.9
CC(1/2)	0.999	0.504

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M magnesium chloride, 22.5% (w/v) polyethylene glycol 3350, 0.1 M Tris, pH 7.5