9CPV

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies C03-0614 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	110.538, 110.538, 224.937
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.600 - 3.000
R-factor	0.2113
Rwork	0.207
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.523
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	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.105	0.035	1.274
Rmeas	0.109	0.037	1.328
Rpim	0.030	0.010	0.370
Number of reflections	28903	1623	1416
<I/σ(I)>	10.7
Completeness [%]	99.9	99.3	100
Redundancy	12.7	12.8	12.6
CC(1/2)	1.000	0.999	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate / citric acid, pH 4.33, 25% v/v PEG200, 6% w/v PEG6000