8GF2

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies eCR3022.20 and CC12.3

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	2020-06-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	157.570, 161.220, 230.117
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.827 - 2.851
R-factor	0.2111
Rwork	0.209
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xc7
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.850	7.730	2.850
Rmerge	0.145	0.058	1.061
Rmeas	0.158	0.063	1.155
Rpim	0.062	0.025	0.452
Total number of observations	434051
Number of reflections	67940	3605	3418
<I/σ(I)>	4.7
Completeness [%]	99.4	99.3	99.9
Redundancy	6.4	6	6.4
CC(1/2)		0.997	0.660

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate - citric acid buffer pH 5.0, 15% (v/v) ethylene glycol, 1 M lithium chloride, and 10% (w/v) polyethylene glycol 6000