8T5Q

SARS-CoV-2 ORF3a peptide in complex with TRAF2 TRAF domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	C 1 2 1
Unit cell lengths	135.200, 84.220, 124.390
Unit cell angles	90.00, 118.82, 90.00

Refinement procedure

Resolution	29.610 - 1.900
R-factor	0.2086
Rwork	0.207
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d01
RMSD bond length	0.007
RMSD bond angle	0.948
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]	29.610	1.950
High resolution limit [Å]	1.900	1.900
Rmeas	0.072	1.000
Rpim	0.038	0.520
Number of reflections	95517	7002
<I/σ(I)>	12.19	1.49
Completeness [%]	98.6	98.1
Redundancy	3.6	3.7
CC(1/2)	0.999	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277.15	0.1 M sodium citrate, pH 5.0, 20% w/v PEG8000