8DTR

Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14

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	75.361, 83.207, 170.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.910 - 1.500
R-factor	0.1995
Rwork	0.198
R-free	0.22200
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	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.069	0.054	1.054
Rmeas	0.072	0.057	1.155
Rpim	0.020	0.016	0.458
Total number of observations	1618339
Number of reflections	138154	8940	2315
<I/σ(I)>	7.9
Completeness [%]	80.5	98.2	27.3
Redundancy	11.7	12.6	6
CC(1/2)		0.998	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.1M sodium cacodylate, pH6.5, 0.2M sodium chloride, and 2M ammonium sulfate