8QNH
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.040, 73.594, 93.973 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 2.001 |
| R-factor | 0.2229 |
| Rwork | 0.222 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.880 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.8 (8-JUN-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.802 | 2.126 |
| High resolution limit [Å] | 2.001 | 2.001 |
| Rmerge | 0.082 | 1.339 |
| Rmeas | 0.089 | 1.456 |
| Rpim | 0.036 | 0.566 |
| Total number of observations | 148573 | 7712 |
| Number of reflections | 23434 | 1173 |
| <I/σ(I)> | 10.3 | 1.4 |
| Completeness [%] | 85.7 | |
| Redundancy | 6.3 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 9 % PEG8000, 5 % MPD, 0.05 M MgAcetate, 0.05 M PCTP pH 8 |
