8ST7

Structure of E3 ligase VsHECT 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	2021-12-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979460
Spacegroup name	P 1 21 1
Unit cell lengths	35.855, 157.276, 53.025
Unit cell angles	90.00, 93.76, 90.00

Refinement procedure

Resolution	37.240 - 1.440
R-factor	0.1714
Rwork	0.170
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.257
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]	39.320	1.460
High resolution limit [Å]	1.440	1.440
Rmerge	0.036	0.597
Number of reflections	91269	2146
<I/σ(I)>	17.7	1.9
Completeness [%]	86.7
Redundancy	3.9	3.5
CC(1/2)	0.998	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	20% PEG 2K MME, 0.1 M MES pH 6.0, and 20% ethylene glycol