8S1A

c-KIT kinase domain in complex with crenolanib

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	2023-07-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	59.540, 59.530, 191.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.530 - 1.850
R-factor	0.1879
Rwork	0.187
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.021
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]	47.850	1.950
High resolution limit [Å]	1.850	1.850
Number of reflections	59036	8458
<I/σ(I)>	12.76	2.3
Completeness [%]	99.9
Redundancy	12.96
CC(1/2)	0.996	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	protein concentration: 2 mg/mL, 100 mM HEPES, pH 7.5