9U3N

Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with compound LC-F2-01

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999990
Spacegroup name	P 21 21 21
Unit cell lengths	63.069, 88.713, 127.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 3.250
Rwork	0.279
R-free	0.34190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.869
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.670	3.510
High resolution limit [Å]	3.250	3.250
Number of reflections	10510	2191
<I/σ(I)>	5.2
Completeness [%]	89.9
Redundancy	5
CC(1/2)	0.981	0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Sodium formate, 20% PEG3,3500+16% Glutaric acid, 0.16% Mellitic acid, 0.16% Oxalic acid, 0.16% Pimelic acid, 0.16% Sebacic acid,0.16% trans-Cinnamic acid, 0.02 M HEPES Na pH6.8