9IWY

Crystal structure of the mouse RIP3 kinase domain in 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	2024-05-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 1
Unit cell lengths	47.700, 56.157, 57.975
Unit cell angles	99.26, 114.15, 89.91

Refinement procedure

Resolution	27.640 - 2.520
R-factor	0.2704
Rwork	0.269
R-free	0.29870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m66
RMSD bond length	0.004
RMSD bond angle	0.851
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.770	2.590
High resolution limit [Å]	2.520	2.520
Rmerge	0.135	1.069
Rmeas	0.164	1.372
Rpim	0.091	0.842
Total number of observations	55838	3156
Number of reflections	17728	1263
<I/σ(I)>	6	1.5
Completeness [%]	98.5
Redundancy	3.1	2.5
CC(1/2)	0.965	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10-20% PEG3350, 50 mM magnesium formate, pH 5.0-7.5