9DOM
PVTX-405: A Potent, Highly Selective, and Orally Efficacious Molecular Glue Degrader of IKZF2 for Cancer Immunotherapy
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2022-04-30 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.395, 69.239, 79.857 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 79.860 - 1.690 |
| R-factor | 0.21164 |
| Rwork | 0.211 |
| R-free | 0.23420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.901 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.860 | 1.720 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.077 | 0.653 |
| Number of reflections | 46939 | 1864 |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 84.8 | |
| Redundancy | 6.4 | 4.9 |
| CC(1/2) | 0.998 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.4 M Magnesium chloride 0.1 M TRIS pH 7.5 27% w/v PEG 4000 |
