7UVJ

Rationally Designed ED1 Epitope-Scaffold Immunogen for SARS-CoV-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-29
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	P 1 21 1
Unit cell lengths	39.060, 95.631, 40.916
Unit cell angles	90.00, 108.58, 90.00

Refinement procedure

Resolution	17.870 - 1.990
R-factor	0.2678
Rwork	0.263
R-free	0.31160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bz4
RMSD bond length	0.002
RMSD bond angle	0.481
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.630	2.060
High resolution limit [Å]	1.990	1.990
Rmerge	0.111	0.216
Rpim	0.066	0.133
Number of reflections	18932	1843
<I/σ(I)>	4.87
Completeness [%]	97.0
Redundancy	3.8
CC(1/2)	0.989	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.2 M sodium formate, 20% w/v PEG3350