8PQH

PDGFRA T674I mutant 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	2021-02-17
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	52.270, 73.260, 102.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.570 - 2.500
R-factor	0.2201
Rwork	0.218
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.004
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]	46.750	2.600
High resolution limit [Å]	2.500	2.500
Rmeas	0.080	1.499
Number of reflections	14185	1529
<I/σ(I)>	18.79	2.06
Completeness [%]	100.0	100
Redundancy	13.09	13.67
CC(1/2)	0.999	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	10 mg/mL, 13% PEG3350, 200 mM KCl