7S5Q

Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibodies CS44 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	2021-06-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	89.637, 120.970, 137.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.560 - 2.880
R-factor	0.2181
Rwork	0.216
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jmw
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	2.930
High resolution limit [Å]	2.880	7.810	2.880
Rmerge	0.169	0.078	0.832
Rmeas	0.177	0.082	0.890
Rpim	0.053	0.025	0.310
Total number of observations	353078
Number of reflections	34132	1882	1670
<I/σ(I)>	4.6
Completeness [%]	98.9	99.2	99.5
Redundancy	10.3	11	7.5
CC(1/2)		0.996	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293.15	1.6 M ammonium sulfate and 0.1 M citric acid pH 4.0