9HY8

Crystal structure of an allosteric inhibitor bound to human RIPK1 kinase domain

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99
Spacegroup name	P 21 21 21
Unit cell lengths	47.582, 98.129, 127.126
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.830 - 2.980
Rwork	0.230
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.833	3.230
High resolution limit [Å]	2.980	2.980
Number of reflections	14305	3045
<I/σ(I)>	14.57
Completeness [%]	94.9
Redundancy	2.86
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	6 mM Gly3 0 29 %w/v PEG 3350 0,25 M NH4I