7E5Y

Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	150.760, 152.600, 177.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.680 - 3.590
R-factor	0.2338
Rwork	0.232
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7c01
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.330	51.330	3.680
High resolution limit [Å]	3.590	16.060	3.590
Rmerge	0.150	0.051	1.349
Rmeas	0.158	0.056	1.421
Rpim	0.050	0.020	0.444
Total number of observations	238965	1703	17648
Number of reflections	24257	293	1766
<I/σ(I)>	10.9	16.8	1.8
Completeness [%]	99.9	93.8	99.9
Redundancy	9.9	5.8	10
CC(1/2)	0.999	0.999	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M ammonium sulfate, 12% w/v PEG 8000, and 0.1 M Tris-HCl, pH 8.5