9C7X

Crystal structure of SARS-CoV-2 antibody 1H06 in complex with a HR2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	59.983, 142.498, 54.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.890 - 1.960
R-factor	0.1747
Rwork	0.172
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.141
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	10.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.110	0.030	0.991
Rmeas	0.122	0.033	0.122
Rpim	0.050	0.013	0.464
Total number of observations	191647
Number of reflections	33382	1898	1588
<I/σ(I)>	6.9
Completeness [%]	97.2	99.9	93.7
Redundancy	5.7	6.3	5.6
CC(1/2)	0.995	0.999	0.447

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	88 mM Tris (pH 7.0), 31% PEG monomethyl ether 2000