8EAZ

HOIL-1/E2-Ub/Ub transthiolation complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-09-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	83.953, 95.478, 115.006
Unit cell angles	90.00, 110.58, 90.00

Refinement procedure

Resolution	47.740 - 3.080
R-factor	0.2333
Rwork	0.232
R-free	0.26640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q5e AlphaFold
RMSD bond length	0.002
RMSD bond angle	0.463
Data reduction software	XDS (VERSION Feb 5, 2021)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.740	3.250
High resolution limit [Å]	3.080	3.080
Rmerge	0.230	2.624
Number of reflections	31532	4460
<I/σ(I)>	4.3	0.9
Completeness [%]	99.5	96.9
Redundancy	3.5	3.6
CC(1/2)	0.986	0.397

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	298	28% PEG smear broad, 0.2 M sodium chloride, 0.1 M sodium phosphate, pH 6.2