8ENS

Crystal structure of beta'-COPI-WD40 domain in complex with SARS-CoV-2 spike tail hepta-peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-30
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	C 1 2 1
Unit cell lengths	74.966, 51.359, 85.276
Unit cell angles	90.00, 101.67, 90.00

Refinement procedure

Resolution	28.060 - 1.450
Rwork	0.151
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j79
RMSD bond length	0.008
RMSD bond angle	1.086
Data reduction software	HKL-3000
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.060	1.470
High resolution limit [Å]	1.450	1.450
Number of reflections	56398	2705
<I/σ(I)>	9.1	2.3
Completeness [%]	99.8	98.4
Redundancy	6.9
CC(1/2)	1.000	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	0.1M MES pH 6.2, 19% PEG 4000