8S16

c-KIT kinase domain in complex with imatinib

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	2023-06-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00006
Spacegroup name	P 21 21 21
Unit cell lengths	87.230, 90.140, 90.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.380 - 1.850
R-factor	0.1775
Rwork	0.176
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.800
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]	45.430	1.900
High resolution limit [Å]	1.850	1.850
Number of reflections	61778	4674
<I/σ(I)>	14.3
Completeness [%]	100.0
Redundancy	13.62
CC(1/2)	0.990	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	protein concentration: 6 mg/mL, 18% PEG3350, 100 mM Na3-citrate