7S3N

SARS-CoV-2 S stem helix peptide bound to Fab22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2021-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	80.246, 73.080, 89.043
Unit cell angles	90.00, 100.50, 90.00

Refinement procedure

Resolution	43.780 - 1.900
R-factor	0.2062
Rwork	0.205
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7m53
RMSD bond length	0.007
RMSD bond angle	0.952
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	87.550	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	38944	2343
<I/σ(I)>	5.1
Completeness [%]	97.3
Redundancy	3.6
CC(1/2)	0.987	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M sodium citrate, pH 5.5, 23% PEG8000