8GB7

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 20A7

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]	100
Detector technology	PIXEL
Collection date	2022-06-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	44.751, 131.421, 174.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.480 - 2.570
R-factor	0.2058
Rwork	0.204
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.643
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.620
High resolution limit [Å]	2.570	7.000	2.580
Rmerge	0.986	0.062	0.776
Number of reflections	62503	3167	2846
<I/σ(I)>	4.2
Completeness [%]	98.9	99.4	88.3
Redundancy	6.2	6.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.2 M CaCl2, 10% ethylene glycol (v/v), and 20% polyethylene glycol 3350 (w/v)