6XKQ

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-250

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 21 21 21
Unit cell lengths	67.970, 80.070, 153.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.102 - 2.550
R-factor	0.2065
Rwork	0.204
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6w41
Data reduction software	HKL-3000
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	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.119	0.053	0.946
Rmeas	0.126	0.056	1.027
Rpim	0.041	0.019	0.389
Total number of observations	245129
Number of reflections	27942	1537	1352
<I/σ(I)>	6.2
Completeness [%]	99.6	99.1	98.9
Redundancy	8.8	8	6.5
CC(1/2)		0.998	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.085 M HEPES pH 7.5 10% (v/v) ethylene glycol 15% (v/v) glycerol 8.5% (v/v) 2-propanol 17% (w/v) polyethylene glycol 4000