8ELO

Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-225

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	2021-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	88.674, 143.052, 147.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.010 - 2.720
R-factor	0.2222
Rwork	0.220
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kn5 6xc3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

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	0.117	0.054	1.242
Rmeas	0.133	0.063	1.407
Rpim	0.061	0.030	0.643
Total number of observations	102906
Number of reflections	24814	1261	1221
<I/σ(I)>	8.4
Completeness [%]	96.9	90.6	97.5
Redundancy	4.1	3.8	4.1
CC(1/2)		0.992	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% (w/v) PEG-3350, 0.2 M di-Ammonium citrate