9W19

Crystal structure of FGFR2 with a macrocyclic compound XS8148

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	CCD
Collection date	2024-10-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	60.844, 72.441, 138.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.720 - 2.630
R-factor	0.2249
Rwork	0.219
R-free	0.27750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.515
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.720	2.730
High resolution limit [Å]	2.630	2.630
Rmerge	0.100	0.335
Number of reflections	18771	1833
<I/σ(I)>	5.8	2.23
Completeness [%]	99.6
Redundancy	2
CC(1/2)	0.984	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18-20% (w/v) PEG 3350, 0.1 M (NH4)2SO4, and 0.1 M HEPES, pH 7.5