7JXE

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 43 21 2
Unit cell lengths	56.510, 56.510, 252.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.045 - 2.043
R-factor	0.2014
Rwork	0.199
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nb8
RMSD bond length	0.002
RMSD bond angle	0.549
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.045	84.060	2.150
High resolution limit [Å]	2.043	6.460	2.043
Rmerge		0.057	1.742
Rmeas	0.166	0.059	1.787
Rpim	0.035	0.013	0.389
Total number of observations	564731
Number of reflections	27080	1046	3744
<I/σ(I)>	13.1	10.2	0.4
Completeness [%]	99.5	100	97
Redundancy	20.9	20.3	18.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.16 M magnesium chloride, 0.08 M Tris-HCl, pH 8.5, 24% w/v PEG4000