7XMK

Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-05
Detector	DECTRIS PILATUS3 X CdTe 1M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	48.885, 100.904, 127.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.415 - 2.376
R-factor	0.226
Rwork	0.224
R-free	0.25850
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	2.410
High resolution limit [Å]	2.370	2.370
Rmerge	0.100
Number of reflections	26140	1259
<I/σ(I)>	25.727
Completeness [%]	100.0
Redundancy	10
CC(1/2)		0.699

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