8QTK
Crystal structure of CBL-b in complex with an allosteric inhibitor (compound 31)
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 | 2022-06-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.268, 74.966, 97.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.480 - 1.873 |
| R-factor | 0.2121 |
| Rwork | 0.209 |
| R-free | 0.26810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.890 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.8 (26-JUL-2023)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.443 | 2.062 |
| High resolution limit [Å] | 1.873 | 1.873 |
| Rmerge | 0.047 | 1.106 |
| Rmeas | 0.049 | 1.187 |
| Rpim | 0.016 | 0.427 |
| Total number of observations | 211452 | 8543 |
| Number of reflections | 22343 | 1118 |
| <I/σ(I)> | 19.8 | 1.6 |
| Completeness [%] | 63.3 | |
| Redundancy | 9.5 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 8-11 % PEG8000, 2.5 % MPD, 0.05 M MgAcetate, 0.05 M PCTP pH 8 |
