7ZF7

SARS-CoV-2 Omicron BA.2 RBD 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	2022-02-07
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 41 21 2
Unit cell lengths	104.152, 104.152, 223.701
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.220 - 3.460
R-factor	0.259
Rwork	0.258
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nxc
RMSD bond length	0.002
RMSD bond angle	0.446
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]	77.000	3.520
High resolution limit [Å]	3.460	3.460
Rmerge	0.703
Number of reflections	16805	829
<I/σ(I)>	3.1	0.3
Completeness [%]	99.6
Redundancy	26.4
CC(1/2)	0.992	0.317

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.09 M MES monohydrate pH 6.0, 18% (w/v) PEG monomethyl ether 2000