7U2D

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADG20

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	2021-09-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 41
Unit cell lengths	101.083, 101.083, 80.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.740 - 2.760
R-factor	0.2215
Rwork	0.220
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mf1
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	2.810
High resolution limit [Å]	2.750	6.780	2.750
Rmerge	0.114	0.046	0.989
Rmeas	0.119	0.048	1.065
Rpim	0.034	0.013	0.383
Total number of observations	230397
Number of reflections	20610	1441	1357
<I/σ(I)>	6.4
Completeness [%]	97.6	99	98.1
Redundancy	11.2	12.5	6.5
CC(1/2)		0.999	0.693

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.16	293.15	0.1 M sodium citrate, pH 4.16 and 1.45 M ammonium sulfate