7ZF9

SARS-CoV-2 Omicron BA.2 RBD in complex with COVOX-150 Fab (P21)

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	2022-01-31
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	89.967, 83.885, 110.704
Unit cell angles	90.00, 101.97, 90.00

Refinement procedure

Resolution	62.270 - 3.250
R-factor	0.2235
Rwork	0.222
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bei
RMSD bond length	0.002
RMSD bond angle	0.502
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]	67.000	3.300
High resolution limit [Å]	3.250	3.250
Rmerge	0.629
Rpim	0.173
Number of reflections	25693	1215
<I/σ(I)>	3.2	0.4
Completeness [%]	99.9
Redundancy	14.2
CC(1/2)	0.971	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Sodium acetate trihydrate pH 4.5 and 30% (w/v) PEG 1500