7SI2

Crystal structure of neutralizing antibody 10-28 in complex with SARS-CoV-2 spike receptor binding domain (RBD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	123.785, 226.677, 186.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	108.640 - 3.200
R-factor	0.2019
Rwork	0.198
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7l5b
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	186.250	8.000	3.120
High resolution limit [Å]	3.030	3.200	3.030
Rmerge	0.180	0.085	1.600
Rmeas	0.350	0.089	0.900
Rpim	0.170	0.026	0.900
Number of reflections	51186	817	4381
<I/σ(I)>	7.5
Completeness [%]	100.0	99.7	100
Redundancy	13.4	11.5	14
CC(1/2)	0.988	0.997	0.361

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M ammonium sulfate, 0.1 M HEPES, pH 7.5, 25% PEG3350, 30% PEG2000 MME