9TFA

PDGFRA-G680R mutant kinase domain in complex with a 6,7-dimethoxyquinazoline-based compound (43)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	52.640, 73.140, 102.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.850 - 2.200
R-factor	0.1911
Rwork	0.189
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.808
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	2.300
High resolution limit [Å]	2.200	2.200
Number of reflections	20286	2411
<I/σ(I)>	10.35
Completeness [%]	98.3
Redundancy	14
CC(1/2)	0.991	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293.15	8% PEG3350, 200 mM KCl, 100 mM Tris pH 8.0; 293.15 K (cryoprotectant: ethylene glycol)