7TP3

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2

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	2021-02-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	72.462, 88.553, 131.495
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.500 - 2.330
R-factor	0.1875
Rwork	0.185
R-free	0.23060
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 (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.370
High resolution limit [Å]	2.330	6.320	2.330
Rmerge	0.143	0.068	1.066
Rmeas	0.154	0.074	1.169
Rpim	0.056	0.027	0.464
Total number of observations	260172
Number of reflections	35809	1973	1517
<I/σ(I)>	7.6
Completeness [%]	97.7	98.7	85.8
Redundancy	7.3	7.2	5.4
CC(1/2)		0.996	0.533

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium cacodylate pH 6.5, 40% (v/v) 2-methyl-2,4-pentanediol, and 5% (w/v) polyethylene glycol (PEG) 8000