9U7E

FGFR2 kinase domain with a macrocyclic compound 8g

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	80
Detector technology	CCD
Collection date	2023-10-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	66.940, 77.350, 115.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.660 - 2.200
R-factor	0.2637
Rwork	0.260
R-free	0.31230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.709
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.660	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.380
Number of reflections	31042	3054
<I/σ(I)>	6.17	1.49
Completeness [%]	99.4	99.09
Redundancy	12.8	13.2
CC(1/2)	0.996	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	16% PEG 3350, 100 mM (NH4)2SO4, 100 mM HEPES, pH 7.5