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 |