7Q0I

Crystal structure of the N-terminal domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-43

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	117.830, 66.964, 143.238
Unit cell angles	90.00, 92.54, 90.00

Refinement procedure

Resolution	143.100 - 2.390
R-factor	0.2039
Rwork	0.202
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7b62
RMSD bond length	0.003
RMSD bond angle	0.594
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	143.100	2.582
High resolution limit [Å]	2.386	2.386
Rmerge	0.144
Rpim	0.059
Number of reflections	74244	3039
<I/σ(I)>	9.8	1.4
Completeness [%]	93.6
Redundancy	6.9
CC(1/2)	0.997	0.478

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium HEPES, 25 % w/v PEG 2000 MME