9TFC

PDGFRA-G680R mutant kinase domain in complex with a 7-methoxyquinazolin-6-ol-based compound (45)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-22
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	52.630, 72.930, 102.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.780 - 2.300
R-factor	0.1972
Rwork	0.195
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.891
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.780	2.400
High resolution limit [Å]	2.300	2.300
Number of reflections	17984	2104
<I/σ(I)>	15.26
Completeness [%]	99.5
Redundancy	13.2
CC(1/2)	0.998	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	12% PEG3350, 200 mM KCl, 100 mM Tris pH 7.5; 293.15 K (cryoprotectant: ethylene glycol)