7SBU

Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with a highly potent antibody J08 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	2021-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	54.539, 103.177, 122.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.800 - 2.530
R-factor	0.2224
Rwork	0.220
R-free	0.26110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jmw
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	2.580
High resolution limit [Å]	2.530	6.890	2.540
Rmerge	0.128	0.073	0.501
Rmeas	0.137	0.079	0.536
Rpim	0.049	0.029	0.186
Number of reflections	23706	1309	1144
<I/σ(I)>	7.8
Completeness [%]	99.7	99.5	97.4
Redundancy	7.9	7	7.7
CC(1/2)		0.995	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	17% (w/v) PEG 4000, 15% (v/v) Glycerol, 8.5% (v/v) Isopropanol, 0.085 M Sodium HEPES pH 7.5