7XIL

SARS-CoV-2-Beta-RBD and B38-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 PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	C 1 2 1
Unit cell lengths	194.723, 84.102, 56.857
Unit cell angles	90.00, 100.19, 90.00

Refinement procedure

Resolution	27.740 - 2.910
R-factor	0.2113
Rwork	0.206
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7bz5
RMSD bond length	0.004
RMSD bond angle	0.780
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	2.930
High resolution limit [Å]	2.880	7.810	2.880
Rmerge	0.193	0.110	0.687
Rmeas	0.211	0.120	0.760
Rpim	0.083	0.048	0.318
Total number of observations	122259
Number of reflections	19665	1028	987
<I/σ(I)>	2.4
Completeness [%]	99.4	99.2	99.9
Redundancy	6.2	6.1	5.5
CC(1/2)		0.972	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Imidazole malate, 15% W/V PEG 4000