7LQ7

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV503 and COVA1-16

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	2021-01-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	172.218, 122.742, 175.459
Unit cell angles	90.00, 118.22, 90.00

Refinement procedure

Resolution	41.290 - 3.400
R-factor	0.1983
Rwork	0.197
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jmw
RMSD bond length	0.005
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.480
High resolution limit [Å]	3.400	8.370	3.400
Rmerge	0.102	0.035	1.582
Rmeas	0.111	0.038	1.712
Rpim	0.043	0.015	0.649
Total number of observations	589794
Number of reflections	87462	5911	5835
<I/σ(I)>	5.7
Completeness [%]	98.8	97.3	99.8
Redundancy	6.7	6.5	6.8
CC(1/2)		0.999	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate pH 4.2, 1 M lithium chloride, and 9% (w/v) polyethylene glycol 6000