7LO4

SARS-CoV-2 spike receptor-binding domain with a G485R mutation in complex with human ACE2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	65.606, 112.176, 145.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.790 - 2.465
R-factor	0.1957
Rwork	0.193
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lzg
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.794	2.570
High resolution limit [Å]	2.460	2.460
Rmerge	0.162	0.858
Rmeas	0.167	0.885
Rpim	0.042	0.216
Number of reflections	39644	4318
<I/σ(I)>	14.1	3.5
Completeness [%]	99.7	97.8
Redundancy	15.9	16.2
CC(1/2)	0.997	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Protein: 5 mg/mL in 20 mM Tris pH 7.5, 150 mM NaCl Reservoir: 0.1 M HEPES pH 7.0, 16% w/v PEG 8000 Cryobuffer: reservoir solution + 20% ethylene glycol