8QNI
Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (benzodiazepine compound 25)
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 | 2021-08-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.125, 73.364, 102.741 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.370 - 2.483 |
| R-factor | 0.2213 |
| Rwork | 0.218 |
| R-free | 0.28590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.900 |
| 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] | 51.370 | 2.747 |
| High resolution limit [Å] | 2.483 | 2.483 |
| Rmerge | 0.076 | 1.432 |
| Rmeas | 0.083 | 1.567 |
| Rpim | 0.032 | 0.625 |
| Total number of observations | 79046 | 3544 |
| Number of reflections | 11896 | 596 |
| <I/σ(I)> | 14.5 | 1.2 |
| Completeness [%] | 75.2 | |
| Redundancy | 6.6 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 11 % PEG8000, 5 % MPD, 0.05 M MgAcetate, 0.05 M PCPT pH 8.0 |
