6NW2

Structure of human RIPK1 kinase domain in complex with compound 11

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	45.862, 96.644, 125.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.085 - 2.000
R-factor	0.2123
Rwork	0.209
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.913
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]	48.320	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.088	0.868
Number of reflections	38557	2812
<I/σ(I)>	13.1	2.3
Completeness [%]	100.0	100
Redundancy	7.7	7.5
CC(1/2)	0.999	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1M Bis Tris Propane pH 6.5, 0.2M Sodium Iodide, 20% PEG3350