7KFX

Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-C2 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	83.455, 149.192, 146.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.600 - 2.226
R-factor	0.1926
Rwork	0.191
R-free	0.22610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7kfv
RMSD bond length	0.008
RMSD bond angle	1.010
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	2.360
High resolution limit [Å]	2.220	2.220
Rmerge	0.136
Rmeas	0.159
Number of reflections	44541	13624
<I/σ(I)>	6.86	0.61
Completeness [%]	99.1	97.1
Redundancy	3.58	3.56
CC(1/2)	0.995	0.251

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	293	protein sample: 13 mg/mL in 150mM NaCl, 25 mM Tris-HCl pH 7.5 mother liquor composition (equal volume): 0.03 M Citric acid, 0.07M BIS-TRIS propane/pH 7.6, 20% (w/v) PEG 3350