8T5P

SARS-CoV-2 ORF3a peptide in complex with TRAF3 TRAF domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 1
Unit cell lengths	82.350, 83.750, 83.800
Unit cell angles	60.03, 79.26, 83.80

Refinement procedure

Resolution	41.770 - 2.500
R-factor	0.1991
Rwork	0.197
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ghu
RMSD bond length	0.008
RMSD bond angle	0.925
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.770	2.560
High resolution limit [Å]	2.500	2.500
Rmeas	0.174	2.329
Rpim	0.065	0.928
Number of reflections	64645	4608
<I/σ(I)>	11.11	1.72
Completeness [%]	97.5	94.3
Redundancy	7.1	6.3
CC(1/2)	0.996	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	13% PEG3350, 0.1 M Tris, pH 8.0, 0.25 M ammonium sulfate