6XC2

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC12.1

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)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	80.699, 143.494, 81.469
Unit cell angles	90.00, 118.68, 90.00

Refinement procedure

Resolution	40.343 - 3.112
R-factor	0.2162
Rwork	0.213
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zd3 6yla
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	3.270
High resolution limit [Å]	3.110	3.200
Rmerge	0.160
Number of reflections	25802	1234
<I/σ(I)>	7.4
Completeness [%]	88.3
Redundancy	1.5
CC(1/2)	0.970	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.1M sodium citrate pH 5.5 15% polyethylene glycol 6000