9TFB

PDGFRA-G680R mutant kinase domain in complex with a 6,7-bis(2-methoxyethoxy)quinazoline-based compound (44)

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	2024-12-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	52.800, 71.900, 102.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.730 - 2.000
R-factor	0.1871
Rwork	0.185
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.883
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]	46.930	2.100
High resolution limit [Å]	2.000	2.000
Number of reflections	26935	3621
<I/σ(I)>	12.04
Completeness [%]	99.5
Redundancy	13.8
CC(1/2)	0.999	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	10% PEG3350, 200 mM KCl, 100 mM Tris pH 7.5;293.15 K (cryoprotectant: glycerol)