6XC3

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CC12.1 and CR3022

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 41 21 2
Unit cell lengths	109.772, 109.772, 235.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.632 - 2.698
R-factor	0.1796
Rwork	0.177
R-free	0.22530
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	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.760
High resolution limit [Å]	2.698	6.650	2.698
Rmerge	0.167	0.083	1.055
Rmeas	0.175	0.088	1.139
Rpim	0.053	0.028	0.416
Number of reflections	40543	2965	2655
<I/σ(I)>	5
Completeness [%]	99.9	99.4	100
Redundancy	10.7	10.1	7
CC(1/2)		0.996	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	20% PEG 3000, 0.2 M sodium chloride, 0.1 M HEPES pH 7.5