8ST8
Structure of E3 ligase SopA bound to ubiquitin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979460 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.893, 63.644, 81.409 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.060 - 1.750 |
R-factor | 0.1775 |
Rwork | 0.176 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.857 |
Data reduction software | XDS |
Data scaling software | Aimless (CCP4-7.1.015) |
Phasing software | PHASER (CCP4-7.1.015) |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.060 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.046 | 0.665 |
Number of reflections | 27443 | 1493 |
<I/σ(I)> | 16.9 | 2 |
Completeness [%] | 98.7 | 98.1 |
Redundancy | 4.6 | 4.5 |
CC(1/2) | 0.999 | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 22.5% PEG 8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate pH 7.0, and 20% glycerol |