8SDF

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.4

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	2022-07-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	58.204, 142.996, 82.928
Unit cell angles	90.00, 94.13, 90.00

Refinement procedure

Resolution	58.050 - 1.790
R-factor	0.1872
Rwork	0.185
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.713	1.818
High resolution limit [Å]	1.790	1.790
Number of reflections	126496	6298
<I/σ(I)>	9.8
Completeness [%]	99.2
Redundancy	7
CC(1/2)	0.998	0.356

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	65% MPD and 0.1 M Bicine pH 9.0