8HOD

ScRIPK MUTANT-S253A, T254A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	43.820, 84.010, 98.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.004 - 1.950
R-factor	0.2005
Rwork	0.198
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tos
RMSD bond length	0.007
RMSD bond angle	0.967
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.010	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.100	0.970
Rmeas	0.109
Rpim	0.031
Number of reflections	27393	2012
<I/σ(I)>	15.2
Completeness [%]	99.9
Redundancy	12.478
CC(1/2)	0.999	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M HEPES pH 7.5, 4.3 M Sodium chloride