9W2L

Crystal structure of FGFR2 with a macrocyclic compound XS9001

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	80
Detector technology	CCD
Collection date	2025-05-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	60.912, 72.571, 137.632
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.340 - 2.100
R-factor	0.2323
Rwork	0.231
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.590
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.340	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.420
Number of reflections	36278	3566
<I/σ(I)>	4.86	1.67
Completeness [%]	99.2	98.74
Redundancy	11.4	9.2
CC(1/2)	0.966	0.291

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