7JX3

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 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2020-08-07
Detector	RDI CMOS_8M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	79.540, 127.780, 192.280
Unit cell angles	90.00, 96.66, 90.00

Refinement procedure

Resolution	47.500 - 2.650
R-factor	0.2591
Rwork	0.258
R-free	0.28810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
RMSD bond length	0.004
RMSD bond angle	1.398
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.750	47.750	2.730
High resolution limit [Å]	2.650	11.240	2.650
Rmerge	0.199	0.044	2.418
Rmeas	0.215	0.047	2.619
Rpim	0.079	0.018	0.999
Total number of observations	406155	4953	30682
Number of reflections	55237	714	4503
<I/σ(I)>	8.7	37.6	0.7
Completeness [%]	99.6	93.4	99.9
Redundancy	7.4	6.9	6.8
CC(1/2)	0.996	0.997	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	16.2% w/v PEG4000, 0.09 M sodium citrate, pH 6.0, 0.18 M ammonium acetate, 0.02 M potassium acetate, 0.01 MES, pH 6, 1.5% v/v pentaerythritol ethoxylate (15/4 EO/OH)