8S15

c-KIT kinase domain in complex with nintedanib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9999
Spacegroup name	P 65 2 2
Unit cell lengths	54.350, 54.350, 456.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.820 - 2.400
R-factor	0.2218
Rwork	0.220
R-free	0.26040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.511
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]	46.820	2.500
High resolution limit [Å]	2.400	2.400
Rmeas	0.162	0.146
Number of reflections	17038	1892
<I/σ(I)>	22.53	3.19
Completeness [%]	100.0
Redundancy	36.7
CC(1/2)	0.999	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	protein concentration: 6 mg/mL, 1 M Na3-citrate, 100 mM Hepes, pH 7.0