8ELP

Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with antibody CC12.1 Fab and nanobody Nb-C4-240

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 2 2 21
Unit cell lengths	90.222, 144.731, 148.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.150 - 2.830
R-factor	0.2406
Rwork	0.238
R-free	0.28380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kn5 6xc3
RMSD bond length	0.002
RMSD bond angle	0.530
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	2.920
High resolution limit [Å]	2.830	7.020	2.850
Rmerge	0.955	0.048	0.709
Number of reflections	42588	2852	2675
<I/σ(I)>	4.7
Completeness [%]	96.8	96.7	93.2
Redundancy	2.1	2.2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.16 M ammonium sulfate, 0.08 M sodium acetate pH 4.6, 20% (w/v) polyethylene glycol 4000, 20% (v/v) glycerol