7VMU

Crystal Structure of SARS-CoV Spike Receptor-Binding Domain Complexed with Neutralizing Antibody

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	2021-02-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9785
Spacegroup name	P 43 2 2
Unit cell lengths	97.021, 97.021, 93.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.390 - 2.890
R-factor	0.2427
Rwork	0.241
R-free	0.27290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6m0j
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.890	7.860	2.900
Rmerge	0.150	0.046	1.241
Rmeas	0.157	0.048	1.315
Rpim	0.047	0.015	0.422
Number of reflections	9975	558	495
<I/σ(I)>	5.4
Completeness [%]	95.2	91.6	96.7
Redundancy	10.3	9.4	8.7
CC(1/2)		0.999	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	20% w/v PEG3350, 0.2M potassium citrate tribasic