9NSO
Crystal structure of the ternary complex of DCAF1 and WDR5 with PROTAC, OICR-41060
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002+ |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-06-05 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.300, 84.077, 130.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.250 - 1.850 |
| R-factor | 0.1901 |
| Rwork | 0.189 |
| R-free | 0.21820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.072 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.250 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.076 | 0.817 |
| Rmeas | 0.083 | 1.002 |
| Rpim | 0.034 | 0.572 |
| Total number of observations | 454532 | 12016 |
| Number of reflections | 76043 | 4355 |
| <I/σ(I)> | 18.2 | 1.2 |
| Completeness [%] | 99.8 | |
| Redundancy | 6 | 2.8 |
| CC(1/2) | 0.998 | 0.619 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M sodium citrate tribasic dihydrate, pH 4.2, 0.4 M potassium phosphate dibasic, 1.6 M sodium phosphate monobasic monohydrate |
