8F0I

Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody COVA309-22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	54.725, 152.530, 240.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.250 - 3.700
R-factor	0.2282
Rwork	0.226
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
RMSD bond length	0.002
RMSD bond angle	0.562
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.760
High resolution limit [Å]	3.700	10.020	3.700
Rmerge	0.955	0.080	1.643
Total number of observations	277783
Number of reflections	41627	2099	2041
<I/σ(I)>	1.9
Completeness [%]	99.8	99.3	98.7
Redundancy	6.7	6.8	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.15	0.1 M sodium cacodylate, pH 6.5, 0.2 M magnesium chloride, and 20% (w/v) polyethylene glycol 1000