24IC

Crystal structure of human RIPK1 kinase domain in complex with compound HR97

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	2026-01-21
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97919
Spacegroup name	P 21 21 21
Unit cell lengths	46.012, 96.298, 127.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.660 - 2.700
R-factor	0.2516
Rwork	0.249
R-free	0.30380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.479
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]	76.810	2.840
High resolution limit [Å]	2.700	2.700
Rmerge	0.280	2.901
Rmeas	0.291	3.019
Rpim	0.080	0.826
Total number of observations	211631	30397
Number of reflections	16014	2321
<I/σ(I)>	7.4	1.1
Completeness [%]	98.2
Redundancy	13.2	13.1
CC(1/2)	0.992	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.25 M ammonium iodide, 0.03 M Gly-Gly-Glycine, 15-25% PEG3350