7LK9

Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC

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
Unit cell lengths	73.297, 78.383, 91.626
Unit cell angles	100.12, 112.09, 92.80

Refinement procedure

Resolution	40.190 - 3.400
R-factor	0.2776
Rwork	0.276
R-free	0.31150
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 (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.400
High resolution limit [Å]	3.300	7.550	3.300
Rmerge	0.299	0.089	0.709
Rmeas	0.354	0.104	0.851
Rpim	0.188	0.054	0.464
Total number of observations	79514
Number of reflections	24563	2043	1970
<I/σ(I)>	2.1
Completeness [%]	88.0	87.5	83.4
Redundancy	3.2	3.7	2.6
CC(1/2)		0.992	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293.15	0.1 M of sodium citrate pH 4, 1 M lithium chloride, and 20% (w/v) polyethylene glycol 6000