7M3I

Structure of SARS-CoV-2 spike protein receptor binding domain in complex with a neutralizing antibody, CV2-75 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	86.371, 127.519, 155.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.320 - 2.800
R-factor	0.2471
Rwork	0.245
R-free	0.28110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fqq 6xe1
RMSD bond length	0.003
RMSD bond angle	0.644
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.320	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.034	0.612
Number of reflections	42799	4141
<I/σ(I)>	12.1	1.44
Completeness [%]	99.5
Redundancy	2
CC(1/2)	0.999	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Tris, pH 7.5, 0.1M Calcium acetate, 15% PEG 3350