8QLS

Human MST3 (STK24) kinase in complex with inhibitor MR26

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	99.109, 58.762, 61.495
Unit cell angles	90.00, 93.06, 90.00

Refinement procedure

Resolution	39.550 - 1.610
R-factor	0.1511
Rwork	0.149
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.943
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.580	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.035	0.725
Number of reflections	45283	2235
<I/σ(I)>	24.2	2.5
Completeness [%]	99.0	98
Redundancy	7	6.5
CC(1/2)	1.000	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein solution: 11 mg/mL MST3 in 25 mM HEPES pH 7.5, 200 mM NaCl, 0.5 mM TCEP, 5% glycerol) with 1 mM compound MR26. Reservoir solution: 10% PEG 6000, 0.1 M HEPES pH 7.2