7JMW

Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with cross-neutralizing antibody COVA1-16 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	2020-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	57.403, 124.905, 57.614
Unit cell angles	90.00, 96.10, 90.00

Refinement procedure

Resolution	42.770 - 2.890
R-factor	0.2407
Rwork	0.238
R-free	0.29080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xc4 4imk 2q20
RMSD bond length	0.003
RMSD bond angle	0.677
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.890	2.890
Rpim	0.090	0.429
Number of reflections	17656	845
<I/σ(I)>	7.4	1.2
Completeness [%]	97.9
Redundancy	3.7
CC(1/2)	0.963	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.9	293.15	20% PEG 3350, 0.2 M Na-iodide, pH 6.9