9CPW

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies C11-1036 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 21 21 21
Unit cell lengths	92.610, 104.070, 151.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.220 - 3.100
R-factor	0.1892
Rwork	0.185
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.468
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	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.191	0.047	1.755
Rmeas	0.207	0.051	1.900
Rpim	0.078	0.020	0.719
Total number of observations	184979
Number of reflections	27298	1510	1344
<I/σ(I)>	5.5
Completeness [%]	99.9	100	100
Redundancy	6.8	6.7	6.6
CC(1/2)	0.990	0.988	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium citrate / citric acid, pH 3.83, 25% v/v PEG200, 7% w/v PEG6000