7VTY

de novo designed protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-04
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9791
Spacegroup name	I 41
Unit cell lengths	56.035, 56.035, 95.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.620 - 2.500
R-factor	0.2262
Rwork	0.224
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cy5
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.270	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	4957	569
<I/σ(I)>	8.7
Completeness [%]	97.0
Redundancy	6.1
CC(1/2)	0.997	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	4% v/v Tacsimate pH 7.0 12% w/v Polyethylene glycol 3,350