9QFY
Structure of CHIP E3 ubiquitin ligase TPR domain in complex with compound 9.
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 | 2023-07-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 47.067, 72.570, 76.925 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.490 - 1.064 |
| R-factor | 0.1962 |
| Rwork | 0.196 |
| R-free | 0.20580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.830 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.490 | 1.188 |
| High resolution limit [Å] | 1.064 | 1.064 |
| Rmerge | 0.062 | 0.295 |
| Rmeas | 0.067 | 0.343 |
| Number of reflections | 39164 | 1958 |
| <I/σ(I)> | 10.4 | 2.2 |
| Completeness [%] | 89.1 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.998 | 0.915 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25-30% (w/v) PEG3350, 200mM magnesium chloride and 100mM Tris-HCl pH 8.5 |
