7S5P

Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibody CS23

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 41 21 2
Unit cell lengths	145.898, 145.898, 111.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.210 - 2.860
R-factor	0.211
Rwork	0.208
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xc2
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	2.910
High resolution limit [Å]	2.860	7.750	2.860
Rmerge	0.256	0.068	1.346
Rmeas	0.262	0.069	1.395
Rpim	0.052	0.014	0.352
Total number of observations	697930
Number of reflections	28522	1595	1386
<I/σ(I)>	2.3
Completeness [%]	100.0	100	99.5
Redundancy	24.5	23.4	14.8
CC(1/2)		0.999	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293.15	1.6 M ammonium sulfate and 0.1 M bicine pH 9.0