7JMO

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-04

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	197.246, 84.678, 57.301
Unit cell angles	90.00, 99.58, 90.00

Refinement procedure

Resolution	48.624 - 2.359
R-factor	0.1972
Rwork	0.195
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xc4
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.163	0.068	0.898
Rmeas	0.179	0.075	1.020
Rpim	0.072	0.030	0.470
Total number of observations	206757
Number of reflections	37264	1913	1689
<I/σ(I)>	5.7
Completeness [%]	97.2	96.8	88.6
Redundancy	5.5	6.1	3.7
CC(1/2)		0.996	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	8.5% isopropanol 10% ethylene glycol 15% glycerol 0.085 M HEPES pH 7.5 17% polyethylene glycol 4000