9YJI

Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with monoclonal antibody CC65.1

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	2021-06-18
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	83.476, 98.475, 143.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.090 - 2.050
R-factor	0.1935
Rwork	0.192
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.554
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	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge		0.084	0.248
Rmeas		0.090	0.297
Rpim		0.029	0.160
Number of reflections	34379	1990	1037
<I/σ(I)>	7.7
Completeness [%]	91.4	98	55.5
Redundancy	7	9.5	2.8
CC(1/2)	0.980	0.995	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	20% (w/v) PEG3350 and 0.2 M CaCl2