7T7B

Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a cross-neutralizing antibody ADI-62113 Fab

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	2021-05-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97934
Spacegroup name	P 43 21 2
Unit cell lengths	85.026, 85.026, 214.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.430 - 2.590
R-factor	0.2231
Rwork	0.221
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jmw
Data reduction software	HKL-3000
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	2.640
High resolution limit [Å]	2.590	7.050	2.600
Rmerge	0.237	0.089	1.547
Rmeas	0.257	0.097	1.697
Rpim	0.097	0.036	0.684
Number of reflections	25315	1413	1241
<I/σ(I)>	5.7
Completeness [%]	99.2	97.4	98.9
Redundancy	6.7	6.5	5.8
CC(1/2)		0.993	0.459

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	0.08 M sodium acetate pH 4.6, 0.16 M ammonium sulfate, 20% (w/v) polyethylene glycol 4000, and 20% (v/v) glycerol