8ELQ

Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-255

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	110
Detector technology	PIXEL
Collection date	2021-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03317
Spacegroup name	C 2 2 21
Unit cell lengths	78.543, 140.387, 142.095
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.930 - 2.210
R-factor	0.2368
Rwork	0.234
R-free	0.28490
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	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.131	0.047	1.049
Rmeas	0.142	0.051	1.137
Rpim	0.054	0.020	0.430
Total number of observations	248854
Number of reflections	38288	2041	1884
<I/σ(I)>	5.7
Completeness [%]	96.4	95.6	96.1
Redundancy	6.5	6.4	6.3
CC(1/2)		0.996	0.681

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6, 25% (w/v) polyethylene glycol 4000