6RLN

Crystal structure of RIP1 kinase in complex with GSK3145095

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976251
Spacegroup name	P 21 21 21
Unit cell lengths	101.840, 130.790, 48.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.030 - 2.870
R-factor	0.1957
Rwork	0.194
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4itj
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.030	2.970
High resolution limit [Å]	2.870	2.870
Rmerge	0.064	1.094
Rmeas	0.070	1.291
Rpim	0.027	0.497
Number of reflections	15475	1420
<I/σ(I)>	17.6
Completeness [%]	99.4	95.3
Redundancy	6.4	6.5
CC(1/2)	0.999	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	100mM MES (pH 6.5), 25% PEG 8k