7JMX

Crystal structure of a SARS-CoV-2 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	2020-06-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 41 3 2
Unit cell lengths	156.287, 156.287, 156.287
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.650 - 2.530
R-factor	0.2131
Rwork	0.211
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4imk 2q20
RMSD bond length	0.007
RMSD bond angle	1.009
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	MOLREP (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.580
High resolution limit [Å]	2.530	2.530
Rpim	0.038	0.543
Number of reflections	22357	1084
<I/σ(I)>	21.5
Completeness [%]	100.0
Redundancy	37
CC(1/2)	0.996	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	20% glycerol, 20% PEG-4000, 0.16 M NH4-sulfate, 0.08 M acetate pH 4.6