7DGY

De novo designed protein H4C2R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 41 21 2
Unit cell lengths	70.682, 70.682, 64.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.660 - 1.800
R-factor	0.1778
Rwork	0.176
R-free	0.19250
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.980	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.043	0.692
Number of reflections	15624	1520
<I/σ(I)>	45	5.2
Completeness [%]	100.0
Redundancy	25.3
CC(1/2)	1.000	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	1.1 M Ammonium tartrate dibasic, 0.1 M sodium acetate trihydrate, pH 4.6