8PQG

c-KIT T670I mutated kinase domain in complex with avapritinib

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	2022-08-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	58.750, 59.090, 192.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 2.400
R-factor	0.2074
Rwork	0.206
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.587
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]	48.110	2.500
High resolution limit [Å]	2.400	2.400
Rmeas	0.100	1.709
Number of reflections	27017	3038
<I/σ(I)>	14.36	1.21
Completeness [%]	99.8	99.5
Redundancy	10.92
CC(1/2)	0.999	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	6 mg/mL, 25% PEG3350, 200 mM Na-citrate, 100 mM Bis-Tris-Propane, pH 6.5