7MF1

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	75.711, 81.213, 112.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.840 - 2.092
R-factor	0.2089
Rwork	0.207
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
RMSD bond length	0.003
RMSD bond angle	0.605
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.840	50.000	2.140
High resolution limit [Å]	2.092	5.700	2.100
Rmerge	0.095	0.055	0.907
Rmeas	0.099	0.057	0.988
Rpim	0.028	0.017	0.378
Number of reflections	41608	2254	1726
<I/σ(I)>	5.5
Completeness [%]	98.0	99.8	85.4
Redundancy	10.9	11	5.4
CC(1/2)		0.999	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	8.5% isopropanol, 17% PEG 4000, 0.085 M HEPES pH 7.5, 15% glycerol