8EFX

Structure of OtDUB DUB Domain disulfide crosslinked with Ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 2 21 21
Unit cell lengths	42.399, 83.008, 99.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.700 - 1.850
R-factor	0.1998
Rwork	0.198
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq 6ups
RMSD bond length	0.007
RMSD bond angle	0.792
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.700	1.920
High resolution limit [Å]	1.840	1.850
Number of reflections	30867	3002
<I/σ(I)>	11.57
Completeness [%]	99.7
Redundancy	6.56
CC(1/2)	0.997	0.481

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.16M Magnesium chloride, 0.08M Tris at pH 8.5, 24% PEG 8000 and 20% glycerol