7X66

SARS-CoV-2-Omicron-RBD and BD-236-GWP/P-VK antibody complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-01-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97852
Spacegroup name	C 2 2 21
Unit cell lengths	86.240, 146.470, 145.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.860 - 2.400
R-factor	0.1925
Rwork	0.190
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7chb
RMSD bond length	0.008
RMSD bond angle	0.936
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.390	6.480	2.390
Rmerge	0.183	0.110	0.800
Rmeas	0.192	0.115	0.845
Rpim	0.057	0.035	0.269
Total number of observations	391440
Number of reflections	36294	1962	1772
<I/σ(I)>	2.9
Completeness [%]	99.1	99.8	98
Redundancy	10.8	10.8	9.3
CC(1/2)		0.963	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	4% v/v Tacsimate pH 6.0, 12% w/v Polyethylene Glycol 3350