8TZ0

Structure of a bacterial E1-E2-Ubl complex (form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	73.851, 89.659, 131.601
Unit cell angles	90.00, 94.92, 90.00

Refinement procedure

Resolution	74.010 - 2.470
R-factor	0.1986
Rwork	0.196
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.317
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.660	2.530
High resolution limit [Å]	2.470	2.470
Rmerge	0.093	0.934
Number of reflections	60824	4283
<I/σ(I)>	11.9	1.5
Completeness [%]	98.9	95
Redundancy	3.5
CC(1/2)	0.997	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM HEPES pH 7.5, 100 mM sodium citrate, 5% isopropanol, and 10% PEG 3350