6W41

Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody CR3022

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 41 2 2
Unit cell lengths	147.535, 147.535, 200.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.039 - 3.084
R-factor	0.2236
Rwork	0.223
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ajf
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]	50.039	50.000	3.210
High resolution limit [Å]	3.080	6.670	3.100
Rmerge	0.136	0.053	1.688
Rmeas	0.142	0.055	1.774
Rpim	0.040	0.016	0.540
Number of reflections	41184	4419	4015
<I/σ(I)>	5
Completeness [%]	100.0	100	100
Redundancy	12.5	11.8	10.6
CC(1/2)		0.999	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	80 mM sodium acetate pH 4.6, 1.5 M ammonium sulfate, and 20% glycerol