9IWW

Crystal structure of the mouse RIP3 kinase domain in complexed with GSK'872

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97930
Spacegroup name	C 1 2 1
Unit cell lengths	149.312, 48.904, 103.382
Unit cell angles	90.00, 131.33, 90.00

Refinement procedure

Resolution	23.840 - 1.930
R-factor	0.1826
Rwork	0.181
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m66
RMSD bond length	0.005
RMSD bond angle	0.800
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge	0.083	0.048	0.654
Rmeas	0.090	0.052	0.709
Rpim	0.035	0.020	0.272
Total number of observations	282899
Number of reflections	42598	2214	2141
<I/σ(I)>	4.6
Completeness [%]	99.9	99.1	100
Redundancy	6.6	6.4	6.6
CC(1/2)	0.993	0.998	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10-20% PEG3350, 50 mM magnesium formate, pH 5.0-7.5