9FQH
E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1)
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.99990 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.811, 73.873, 93.608 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.768 - 1.786 |
| R-factor | 0.2228 |
| Rwork | 0.221 |
| R-free | 0.24950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.768 | 1.920 |
| High resolution limit [Å] | 1.786 | 1.786 |
| Rmerge | 0.077 | 1.330 |
| Rmeas | 0.085 | 1.482 |
| Rpim | 0.036 | 0.641 |
| Total number of observations | 152844 | 7094 |
| Number of reflections | 27410 | 1371 |
| <I/σ(I)> | 11.4 | 1.6 |
| Completeness [%] | 72.0 | |
| Redundancy | 5.6 | 5.2 |
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 |
