7LOP

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV05-163 and CR3022

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0337
Spacegroup name	P 1 21 1
Unit cell lengths	85.995, 132.884, 111.326
Unit cell angles	90.00, 100.68, 90.00

Refinement procedure

Resolution	49.386 - 2.246
R-factor	0.2222
Rwork	0.220
R-free	0.26800
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	2.290
High resolution limit [Å]	2.246	6.100	2.250
Rmerge	0.146	0.060	0.638
Rmeas	0.174	0.071	0.795
Rpim	0.094	0.038	0.466
Number of reflections	115448	5939	5324
<I/σ(I)>	4.3
Completeness [%]	98.9	99.7	91.5
Redundancy	3.2	3.3	2.4
CC(1/2)		0.995	0.615

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293.15	0.1 M sodium citrate - citric acid buffer at pH 4.8 and 19% (w/v) polyethylene glycol 6000