7SJS

Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CC40.8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 2 21 21
Unit cell lengths	54.925, 63.710, 121.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.821 - 1.612
R-factor	0.1751
Rwork	0.174
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.650
High resolution limit [Å]	1.612	4.240	1.620
Rmerge	0.079	0.043	1.116
Rmeas	0.084	0.046	1.220
Rpim	0.028	0.015	0.477
Number of reflections	54222	3302	2738
<I/σ(I)>	8.9
Completeness [%]	97.0	98.7	89.6
Redundancy	8.1	8.4	5.3
CC(1/2)		0.999	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.26	293.15	0.1 M sodium acetate buffer at pH 4.26, 0.2 M ammonium sulfate, and 28% (w/v) polyethylene glycol monomethyl ether 2000