8S14

c-KIT kinase domain in complex with sunitinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9999
Spacegroup name	C 1 2 1
Unit cell lengths	97.770, 69.820, 55.930
Unit cell angles	90.00, 117.00, 90.00

Refinement procedure

Resolution	43.420 - 1.500
R-factor	0.1893
Rwork	0.188
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.764
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.420	1.600
High resolution limit [Å]	1.500	1.500
Number of reflections	51247	7429
<I/σ(I)>	16.52
Completeness [%]	95.3
Redundancy	6.8
CC(1/2)	0.999	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	285.15	protein concentration: 6.6 mg/mL, 14 % PEG8000, 20 % ethylene glycole, 100 mM bicine, 30 mM NaI, 30 mM NaBr, 30 mM NaF, pH 9.5