7ZFA

SARS-CoV-2 Omicron RBD in complex with Omi-6 and COVOX-150 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	2022-02-23
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	82.816, 114.783, 144.549
Unit cell angles	82.01, 80.62, 86.17

Refinement procedure

Resolution	113.550 - 4.240
R-factor	0.2385
Rwork	0.237
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bei
RMSD bond length	0.007
RMSD bond angle	0.967
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]	142.000	4.736
High resolution limit [Å]	4.240	4.243
Rmerge	0.330
Rpim	0.205
Number of reflections	12518	626
<I/σ(I)>	2.6	1.6
Completeness [%]	82.9
Redundancy	3.5
CC(1/2)	0.918	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium HEPES pH 7.0, 15 % w/v PEG 4000