7X63

SARS-CoV-2-Beta-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 1 2 1
Unit cell lengths	196.680, 84.720, 57.780
Unit cell angles	90.00, 99.65, 90.00

Refinement procedure

Resolution	30.380 - 2.240
R-factor	0.1941
Rwork	0.193
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7chb
RMSD bond length	0.006
RMSD bond angle	0.876
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.240	6.080	2.240
Rmerge	0.120	0.090	0.722
Rmeas	0.131	0.098	0.785
Rpim	0.050	0.038	0.305
Total number of observations	295597
Number of reflections	44909	2319	2217
<I/σ(I)>	4.2
Completeness [%]	99.5	99.1	99.1
Redundancy	6.6	6.6	6.2
CC(1/2)		0.981	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	4% v/v Tacsimate pH 8.0, 12% w/v Polyethylene Glycol 3350