6XC4

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 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	2020-05-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	56.071, 105.590, 165.937
Unit cell angles	90.00, 92.77, 90.00

Refinement procedure

Resolution	41.706 - 2.341
R-factor	0.1857
Rwork	0.184
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yla 4tsa 4zd3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.330	2.330
Rmerge	0.143	0.950
Number of reflections	78783	7298
<I/σ(I)>	10.2
Completeness [%]	98.7
Redundancy	2.4
CC(1/2)	0.987	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1 M sodium phosphate pH 6.5 12% polyethylene glycol 8000