9B9W
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-40792
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.1808 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.895, 83.533, 130.828 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.290 - 1.920 |
| R-factor | 0.1725 |
| Rwork | 0.172 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.853 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.290 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.032 | |
| Rmeas | 0.045 | |
| Rpim | 0.032 | |
| Total number of observations | 134923 | 5506 |
| Number of reflections | 67507 | 2761 |
| <I/σ(I)> | 15.04 | |
| Completeness [%] | 100.0 | |
| Redundancy | 2 | |
| CC(1/2) | 0.999 | 0.594 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 35% v/v tacsimate, pH 7.0 |
