9CPX

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies C03-0138 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	110.168, 110.168, 226.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.540 - 2.700
R-factor	0.2316
Rwork	0.230
R-free	0.27050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.500
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	2.740
High resolution limit [Å]	2.690	7.290	2.690
Rmerge	0.101	0.053	1.155
Rmeas	0.103	0.054	1.176
Rpim	0.020	0.011	0.220
Number of reflections	39168	2188	1912
<I/σ(I)>	11.7
Completeness [%]	99.9	99.7	100
Redundancy	26.3	25.1	28.2
CC(1/2)	1.000	0.999	0.831

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate / citric acid buffer, pH 3.33, 25% v/v PEG200, 9% w/v PEG6000