8ENX

Crystal structure of beta'-COPI-WD40 domain Y33A mutant in complex with SARS-CoV-2 clientized spike tail heptapeptide.

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	2022-05-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 1
Unit cell lengths	42.746, 46.241, 84.520
Unit cell angles	81.07, 81.70, 69.50

Refinement procedure

Resolution	28.330 - 1.800
R-factor	0.1513
Rwork	0.149
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j79
RMSD bond length	0.005
RMSD bond angle	0.759
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]	28.330	1.840
High resolution limit [Å]	1.800	1.800
Number of reflections	53029	2959
<I/σ(I)>	3.7	1
Completeness [%]	96.6
Redundancy	2.4
CC(1/2)	0.989	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	295.15	0.1M MES pH 6.2, 17% PEG20000