8SIQ

Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with broadly neutralizing antibodies CC25.36 and CV38-142 Fab

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	2021-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	60.399, 77.035, 266.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.520 - 2.500
R-factor	0.2489
Rwork	0.247
R-free	0.28710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.763
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	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.157	0.038	1.119
Rmeas	0.181	0.043	1.307
Rpim	0.088	0.020	0.660
Total number of observations	133906
Number of reflections	38811	2044	1970
<I/σ(I)>	5.8
Completeness [%]	87.8	83.8	92
Redundancy	3.5	4.1	3.3
CC(1/2)	0.980	0.995	0.515

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		273	20% (w/v) PEG-3350, 0.2 M di-Ammonium citrate