9QUG

Structure of a UBC-Ubiquitin conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99999
Spacegroup name	P 21 21 21
Unit cell lengths	61.577, 82.845, 98.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.330 - 1.800
R-factor	0.1682
Rwork	0.167
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.495
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.000	1.624
High resolution limit [Å]	1.596	1.596
Number of reflections	67712	3358
<I/σ(I)>	17.44
Completeness [%]	100.0
Redundancy	13.28
CC(1/2)	1.000	0.121

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Trimethylamine N-oxide dihydrate, 0.1 M Tris pH 8.5, 20% (w/v) Polyethylene glycol monomethyl ether 2,000