8R4Q

Salt inducible kinase 3 in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	85.116, 213.702, 223.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.260 - 2.838
R-factor	0.214
Rwork	0.212
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.900
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (8-JUN-2022))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.800	3.060
High resolution limit [Å]	2.838	2.840
Number of reflections	79167	3959
<I/σ(I)>	9.7
Completeness [%]	80.5	20.4
Redundancy	6.9	7
CC(1/2)	0.994	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	10% PEG 8000, 20% 1,5-Pentanediol, 0.03 M Lithium sulfate, 0.03 M Sodium sulfate, 0.03 M Potassium sulfate and 0.1 M Buffer system 4 pH 6.5 (Mopso, Bis-Tris)