7NXC

Crystal structure of the receptor binding domain of SARS-CoV-2 P.1 variant Spike glycoprotein in complex with ACE2

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	2021-02-23
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 41 21 2
Unit cell lengths	103.502, 103.502, 225.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.620 - 3.140
R-factor	0.2287
Rwork	0.226
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
RMSD bond length	0.003
RMSD bond angle	0.595
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	3.190
High resolution limit [Å]	3.140	3.140
Rmerge	0.500
Rpim	0.100
Number of reflections	22273	1047
<I/σ(I)>	5.3
Completeness [%]	100.0
Redundancy	25.7
CC(1/2)	0.992	0.310

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	0.1 M Imidazole pH 7.0 and 20% w/v Polyethylene glycol 6,000