8F5I

SARS-CoV-2 S2 helix epitope scaffold bound by antibody DH1057.1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	80
Detector technology	CCD
Collection date	2022-11-03
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	56.680, 76.360, 79.020
Unit cell angles	71.60, 69.99, 88.30

Refinement procedure

Resolution	45.680 - 1.900
R-factor	0.2129
Rwork	0.211
R-free	0.24450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lmo
RMSD bond length	0.008
RMSD bond angle	0.862
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev-3758)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.680	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	88193	8122
<I/σ(I)>	29.11	3.21
Completeness [%]	93.9	87.6
Redundancy	4.7	3.7
CC(1/2)	0.474	0.207

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% PEG 3350