7N1K

Crystal structure of a de novo-designed mini-protein targeting FGFR

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	2021-02-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 43 2 2
Unit cell lengths	42.482, 42.482, 83.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.480 - 3.010
R-factor	0.2724
Rwork	0.271
R-free	0.29830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PREDICTED MODEL
RMSD bond length	0.003
RMSD bond angle	0.369
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.190
High resolution limit [Å]	3.010	3.010
Number of reflections	1644	247
<I/σ(I)>	17.85
Completeness [%]	93.8
Redundancy	5.5
CC(1/2)	0.999	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	1,6-hexanediol, 1-butanol, 1,2-propanediol, 2-propanol, 1,4-butanediol, 1,3-Propanediol, Tris-BICINE (pH 8.5), MPD, PEG 1000, PEG 3350