8DTT

Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	65.855, 65.973, 197.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.620 - 1.750
R-factor	0.1961
Rwork	0.195
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7sjs
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.138	0.105	0.648
Rmeas	0.144	0.110	0.768
Rpim	0.043	0.033	0.403
Total number of observations	801686
Number of reflections	81566	4716	2454
<I/σ(I)>	5.1
Completeness [%]	92.6	99.9	56.6
Redundancy	9.8	11.5	3.4
CC(1/2)		0.995	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	0.2M sodium chloride, 0.1M Tris, pH7, 30% PEG3000