7K9Z

Crystal structure of SARS-CoV-2 receptor binding domain in complex with the Fab fragments of neutralizing antibodies 298 and 52

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-28
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	1.03317
Spacegroup name	P 32 2 1
Unit cell lengths	87.617, 87.617, 325.096
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.610 - 2.950
R-factor	0.2625
Rwork	0.261
R-free	0.28710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dn3 5czx 6xdg
Data reduction software	XPREP (2015/1)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.660	3.050
High resolution limit [Å]	2.950	2.950
Rmerge	0.168	0.742
Rpim	0.043	0.201
Number of reflections	31545	3060
<I/σ(I)>	12.3	1.4
Completeness [%]	99.9	99.9
Redundancy	15.7	14.3
CC(1/2)	0.998	0.863

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	20% (w/v) 2-propanol, 20% (w/v) PEG 4000, 0.1 M sodium citrate pH 5.6