8TMY

Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CHM-16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 2 21 21
Unit cell lengths	73.456, 73.677, 330.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.060 - 3.070
R-factor	0.246
Rwork	0.243
R-free	0.28630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.584
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	3.140
High resolution limit [Å]	3.070	8.380	3.090
Rmerge	0.190	0.070	0.593
Rmeas	0.202	0.073	0.678
Rpim	0.065	0.020	0.314
Number of reflections	32403	1909	1036
<I/σ(I)>	3.1
Completeness [%]	94.8	100	62.9
Redundancy	8.9	12.8	3.2
CC(1/2)	0.981	0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium cacodylate pH 6.5, and 1 M sodium citrate