7TYD

Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder in P21 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 1 21 1
Unit cell lengths	52.798, 58.664, 68.055
Unit cell angles	90.00, 110.93, 90.00

Refinement procedure

Resolution	49.320 - 2.860
R-factor	0.2704
Rwork	0.268
R-free	0.30630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cvs
RMSD bond length	0.003
RMSD bond angle	0.546
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.850	2.850
Number of reflections	8780	412
<I/σ(I)>	18.55	2.564
Completeness [%]	96.1	87.3
Redundancy	4.9	4.1
CC(1/2)	0.992	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.1 M Bis-Tris (pH 5.5) 25% polyethylene glycol 3,350 3% 1,5-diaminopentane dihydrochloride