7PRZ

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with beta-22 Fabs

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	2021-06-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97626
Spacegroup name	H 3 2
Unit cell lengths	199.378, 199.378, 202.444
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	87.320 - 3.200
R-factor	0.1922
Rwork	0.190
R-free	0.22290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nxa
RMSD bond length	0.003
RMSD bond angle	0.601
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]	87.320	3.250
High resolution limit [Å]	3.200	3.200
Rmerge	0.473
Rpim	0.063
Number of reflections	25724	1210
<I/σ(I)>	9.4	0.5
Completeness [%]	99.8
Redundancy	57.5
CC(1/2)	0.998	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	containing 0.2 M Lithium sulfate, 0.1 M MES pH 6.0 and 20% (w/v) PEG 4000