9FQJ
E3 ligase Cbl-b in complex with a carbamate scaffold inhibitor (compound 12)
This is a non-PDB format compatible entry.
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 | 2023-03-07 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.775, 74.524, 105.981 |
| Unit cell angles | 90.00, 104.84, 90.00 |
Refinement procedure
| Resolution | 102.440 - 1.563 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.22230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (26-JUL-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.445 | 1.715 |
| High resolution limit [Å] | 1.563 | 1.563 |
| Rmerge | 0.086 | 0.942 |
| Rmeas | 0.096 | 1.054 |
| Rpim | 0.041 | 0.464 |
| Total number of observations | 420999 | 20596 |
| Number of reflections | 84190 | 4209 |
| <I/σ(I)> | 8.9 | 1.6 |
| Completeness [%] | 69.8 | |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 11 % PEG8000, 0.05 M Mg Acetate, 5 % MPD, 0.05 M PCPT pH 8.0 |
