7KFW

Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B3 Fab)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-07-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	84.174, 112.843, 267.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	133.920 - 2.792
R-factor	0.1913
Rwork	0.189
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kfv
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	XDS (20200131)
Data scaling software	XDS (20200131)
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	2.940
High resolution limit [Å]	2.770	2.790
Rmeas	0.382
Number of reflections	63645	17922
<I/σ(I)>	5.41	0.68
Completeness [%]	98.1	88.6
Redundancy	6.94	6.51
CC(1/2)	0.983	0.233

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	protein sample: 13 mg/mL in 150mM NaCl, 25 mM Tris-HCl, pH 7.5 mother liquor composition (equal volume): 0.2 M Ammonium phosphate dibasic, 20% w/v PEG 3350