8DNN

Crystal structure of neutralizing antibody 80 in complex with SARS-CoV-2 receptor binding domain

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]	80
Detector technology	PIXEL
Collection date	2021-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033167
Spacegroup name	P 21 21 21
Unit cell lengths	85.110, 111.580, 187.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 3.120
R-factor	0.1955
Rwork	0.193
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lm8
RMSD bond length	0.004
RMSD bond angle	0.626
Data reduction software	XPREP
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.910	3.231
High resolution limit [Å]	3.120	3.120
Number of reflections	32395	44891
<I/σ(I)>	6.03
Completeness [%]	99.8	99.97
Redundancy	13.6
CC(1/2)	0.984	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M di-ammonium tartarate, 20% (w/v) polyethylene glycol 3350