7PS1

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-27 Fab

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	2021-05-17
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97626
Spacegroup name	C 1 2 1
Unit cell lengths	193.396, 85.745, 57.447
Unit cell angles	90.00, 99.73, 90.00

Refinement procedure

Resolution	56.620 - 2.400
R-factor	0.1854
Rwork	0.184
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nxa
RMSD bond length	0.004
RMSD bond angle	0.652
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]	95.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.181
Rpim	0.042
Number of reflections	35126	1395
<I/σ(I)>	8.6	0.4
Completeness [%]	96.7
Redundancy	16.7
CC(1/2)	0.995	0.599

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Potassium iodide, 0.1 M MES pH 6.5 and 25% (w/v) PEG 4000.