9CPU

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies C03-0304 and CC12.3

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	2024-04-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97946
Spacegroup name	P 41 21 2
Unit cell lengths	110.232, 110.232, 230.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.300 - 2.600
R-factor	0.2076
Rwork	0.206
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5127: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.099	0.064	1.594
Rmeas	0.101	0.065	1.623
Rpim	0.020	0.013	0.303
Total number of observations	1188872
Number of reflections	44734	2486	2188
<I/σ(I)>	10.8
Completeness [%]	99.9	99.4	100
Redundancy	26.6	24.9	27.8
CC(1/2)	0.970	0.990	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M Tris, pH 8, 15% v/v ethylene glycol, 1 M lithium chloride, 10% w/v PEG6000