6NYH

Structure of human RIPK1 kinase domain in complex with GNE684

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	46.980, 97.034, 125.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.517 - 2.100
R-factor	0.2056
Rwork	0.203
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ith
RMSD bond length	0.008
RMSD bond angle	0.935
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1-2155_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.520	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.106	0.872
Number of reflections	32257
<I/σ(I)>	8.8	1.6
Completeness [%]	94.4	96.6
Redundancy	5.7	5.7
CC(1/2)	0.992	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1 M Bis Tris Propane buffer (pH 6.5), 0.2 M sodium iodide, 20% PEG3350