8PQA

c-KIT kinase domain in complex with avapritinib derivative 4

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	2023-02-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	58.760, 58.880, 193.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.210 - 1.650
R-factor	0.189
Rwork	0.188
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.986
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]	43.480	1.700
High resolution limit [Å]	1.650	1.650
Rmeas	0.061	2.606
Number of reflections	81727	6926
<I/σ(I)>	19.49	0.88
Completeness [%]	100.0	99.8
Redundancy	13.38	13.68
CC(1/2)	1.000	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	3 mg/mL, 23% PEG3350, 150 mM Na2-tartrate