8D6Z

Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27

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	2022-03-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	196.173, 60.314, 186.509
Unit cell angles	90.00, 109.52, 90.00

Refinement procedure

Resolution	46.220 - 2.300
R-factor	0.2376
Rwork	0.235
R-free	0.27930
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 (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.128	0.051	1.435
Rmeas	0.146	0.059	1.606
Rpim	0.067	0.030	0.700
Total number of observations	424101
Number of reflections	88859	4594	4413
<I/σ(I)>	4.2
Completeness [%]	97.2	95.7	98.5
Redundancy	4.8	4.2	5.1
CC(1/2)		0.997	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	70% 2-methyl-2,4-pentanediol and 0.1M HEPES, pH 7.5