7JXD

Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-07-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	59.091, 63.285, 113.895
Unit cell angles	90.00, 103.97, 90.00

Refinement procedure

Resolution	46.510 - 2.500
R-factor	0.2061
Rwork	0.203
R-free	0.25940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nb8
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.125	0.084	0.372
Rmeas	0.133	0.090	0.402
Rpim	0.043	0.030	0.147
Total number of observations	215006
Number of reflections	24724	1475	826
<I/σ(I)>	7.2
Completeness [%]	88.0	99.9	59.6
Redundancy	8.7	9.6	6
CC(1/2)		0.996	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1.2 M ammonium sulfate, 0.1 M sodium cacodylate/HCl, pH 6.5