8TYZ

Structure of a bacterial E1-E2-Ubl complex (form 2)

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	2023-04-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 42 21 2
Unit cell lengths	199.925, 199.925, 66.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.680 - 2.680
R-factor	0.2093
Rwork	0.207
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.007
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	199.930	2.800
High resolution limit [Å]	2.680	2.680
Rmerge	0.101	3.776
Number of reflections	38727	4641
<I/σ(I)>	19.2	0.7
Completeness [%]	100.0
Redundancy	13.7
CC(1/2)	1.000	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	100 mM imidazole pH 8.0, 200 mM MgCl2, and 10% PEG 3350