9B82

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	101.051, 218.660, 122.728
Unit cell angles	90.00, 112.34, 90.00

Refinement procedure

Resolution	33.140 - 3.380
R-factor	0.2442
Rwork	0.242
R-free	0.29510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.493
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5127: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.460
High resolution limit [Å]	3.380	9.210	3.400
Rmerge	0.208	0.053	1.327
Rmeas	0.226	0.057	1.440
Rpim	0.087	0.022	0.554
Number of reflections	68687	3510	3372
<I/σ(I)>	3.1
Completeness [%]	100.0	100	100
Redundancy	6.8	6.4	6.8
CC(1/2)	0.984	0.997	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.095 M sodium citrate, pH 5.6, 19% (v/v) 2-propanol, 5% (v/v) glycerol, and 19% (w/v) polyethylene glycol 4000