7YDX

Crystal structure of human RIPK1 kinase domain in complex with compound RI-962

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-03
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97852
Spacegroup name	P 21 21 21
Unit cell lengths	47.569, 97.530, 132.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.765 - 2.642
R-factor	0.2632
Rwork	0.260
R-free	0.28920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4itj
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.640	2.640
Rmerge	0.071
Number of reflections	18712	873
<I/σ(I)>	36	2.167
Completeness [%]	100.0
Redundancy	11.3
CC(1/2)		0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.25M ammonium iodide, 0.03M glycyl-glycyl-glycine, 23% polyethylene glycol (PEG) 3350