6XKP

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270

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	2020-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	175.020, 151.785, 66.015
Unit cell angles	90.00, 95.44, 90.00

Refinement procedure

Resolution	49.730 - 2.720
R-factor	0.2223
Rwork	0.220
R-free	0.26940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.199	0.061	0.893
Rmeas	0.222	0.068	1.031
Rpim	0.099	0.029	0.505
Total number of observations	195146
Number of reflections	41624	2068	2089
<I/σ(I)>	3.7
Completeness [%]	90.8	88.2	90.8
Redundancy	4.7	4.9	3.6
CC(1/2)		0.996	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1 M sodium cacodylate pH 6.5 0.2 M sodium chloride 2 M ammonium sulfate 15% (v/v) ethylene glycol