7JXC

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 21 21 21
Unit cell lengths	56.439, 70.680, 115.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.300 - 2.470
R-factor	0.1893
Rwork	0.187
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6nb8
RMSD bond length	0.004
RMSD bond angle	0.732
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	60.302	70.680	2.610
High resolution limit [Å]	2.470	7.820	2.473
Rmerge		0.049	0.340
Rmeas	0.092	0.054	0.373
Rpim	0.037	0.022	0.150
Number of reflections	17105	631	2430
<I/σ(I)>	13.1	12.6	2.2
Completeness [%]	99.7	99.7	99.2
Redundancy	5.8	5.2	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2 M magnesium acetate, 20% w/v PEG3350