9FQI
E3 ligase Cbl-b in complex with a lactam scaffold inhibitor (compound 7)
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 | 2021-08-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.558, 74.127, 97.326 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.970 - 1.954 |
| R-factor | 0.2385 |
| Rwork | 0.236 |
| R-free | 0.29120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.971 | 1.988 |
| High resolution limit [Å] | 1.954 | 1.954 |
| Rmerge | 0.069 | 0.537 |
| Rmeas | 0.075 | 0.584 |
| Rpim | 0.029 | 0.226 |
| Total number of observations | 196901 | 9976 |
| Number of reflections | 30868 | 1514 |
| <I/σ(I)> | 11.3 | 2.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.4 | 6.6 |
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 |
