8E1X

FGFR2 kinase domain in complex with a Pyrazolo[1,5-a]pyrimidine analog (Compound 29)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	76.515, 77.482, 126.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.040 - 2.680
R-factor	0.2264
Rwork	0.224
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qqt
RMSD bond length	0.006
RMSD bond angle	0.969
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.17rc2_3619)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.040	2.980
High resolution limit [Å]	2.680	2.680
Rmerge	0.440	2.340
Number of reflections	14681	734
<I/σ(I)>	6.4
Completeness [%]	87.1	51.2
Redundancy	12.6
CC(1/2)	0.990	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	293	0.1 M Sodium citrate pH 5.2; 28% w/w PEG 4,000; 0.2 M Ammonium acetate