8JVE

Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer

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	CCD
Collection date	2022-07-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95365
Spacegroup name	P 43 21 2
Unit cell lengths	54.919, 54.919, 184.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.160 - 1.760
R-factor	0.2188
Rwork	0.217
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.852
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]	47.160	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.084	1.543
Rmeas	0.085	0.015
Rpim	0.017	0.317
Total number of observations	766994	37462
Number of reflections	29234	1566
<I/σ(I)>	17.6	1.6
Completeness [%]	99.8
Redundancy	26.2	23.9
CC(1/2)	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3.5 M Sodium formate pH 7.0