7JMP

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-39

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)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	68.905, 80.445, 72.006
Unit cell angles	90.00, 104.88, 90.00

Refinement procedure

Resolution	34.824 - 1.712
R-factor	0.1783
Rwork	0.177
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
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	1.750
High resolution limit [Å]	1.712	4.670	1.720
Rmerge	0.057	0.034	0.934
Rmeas	0.066	0.039	1.103
Rpim	0.032	0.018	0.576
Number of reflections	79139	4059	3920
<I/σ(I)>	11.6
Completeness [%]	97.2	96.8	97.6
Redundancy	3.6	3.8	3.5
CC(1/2)		0.998	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate pH 5.6 20% isopropanol 10% ethylene glycol 20% polyethylene glycol 4000