7PS4

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-38

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	2021-08-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97623
Spacegroup name	P 1 21 1
Unit cell lengths	55.071, 118.487, 109.268
Unit cell angles	90.00, 93.47, 90.00

Refinement procedure

Resolution	54.530 - 1.940
R-factor	0.2049
Rwork	0.203
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yla
RMSD bond length	0.004
RMSD bond angle	0.733
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]	59.000	1.970
High resolution limit [Å]	1.940	1.940
Rmerge	0.065
Rpim	0.029
Number of reflections	101364	4165
<I/σ(I)>	17.1	0.4
Completeness [%]	98.0
Redundancy	6.2
CC(1/2)	0.990	0.321

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.8 M Sodium/potassium phosphate pH 7.5