7KFY

Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-F10 Fab)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-08-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	85.740, 146.801, 144.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.040 - 2.157
R-factor	0.2078
Rwork	0.205
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kfv
RMSD bond length	0.008
RMSD bond angle	1.000
Data reduction software	XDS (20200131)
Data scaling software	XDS (20200131)
Phasing software	PARROT (2.8.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	2.290
High resolution limit [Å]	2.157	2.157
Rmerge	0.118
Rmeas	0.157
Number of reflections	48373	27507
<I/σ(I)>	6.17	0.71
Completeness [%]	94.0	89.4
Redundancy	2.06	1.96
CC(1/2)	0.991	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	protein sample: 13 mg/mL in 150mM NaCl, 25 mM Tris-HCl, pH 7.5 mother liquor composition (equal volume): 0.10% (w/v) n-Octyl-B-glucoside, 0.1 M Sodium citrate tribasic dihydrate pH 4.5, 22% (w/v) PEG 3350