7U2E

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody ADI-55688

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	2021-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 41
Unit cell lengths	101.006, 101.006, 79.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.170 - 2.850
R-factor	0.2572
Rwork	0.254
R-free	0.28440
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	2.900
High resolution limit [Å]	2.850	7.730	2.850
Rmerge	0.145	0.063	1.318
Rmeas	0.154	0.067	1.417
Rpim	0.051	0.023	0.513
Total number of observations	166809
Number of reflections	18846	988	912
<I/σ(I)>	5.4
Completeness [%]	100.0	99.7	99.9
Redundancy	8.9	8.4	7.3
CC(1/2)		0.997	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.8	293.15	0.08 M sodium acetate, pH 3.8, 1.6 M ammonium sulfate, and 20% (v/v) glycerol