8ST8

Structure of E3 ligase SopA bound to ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	P 21 21 21
Unit cell lengths	51.893, 63.644, 81.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.060 - 1.750
R-factor	0.1775
Rwork	0.176
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.857
Data reduction software	XDS
Data scaling software	Aimless (CCP4-7.1.015)
Phasing software	PHASER (CCP4-7.1.015)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.060	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.046	0.665
Number of reflections	27443	1493
<I/σ(I)>	16.9	2
Completeness [%]	98.7	98.1
Redundancy	4.6	4.5
CC(1/2)	0.999	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	22.5% PEG 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate pH 7.0, and 20% glycerol