9BHS
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-06 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.442, 87.884, 73.075 |
| Unit cell angles | 90.00, 96.75, 90.00 |
Refinement procedure
| Resolution | 42.500 - 1.430 |
| R-factor | 0.14194 |
| Rwork | 0.141 |
| R-free | 0.16957 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.348 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.450 |
| High resolution limit [Å] | 1.430 | 3.880 | 1.430 |
| Rmerge | 0.045 | 0.027 | 0.463 |
| Rmeas | 0.049 | 0.029 | 0.511 |
| Rpim | 0.019 | 0.011 | 0.210 |
| Total number of observations | 721964 | ||
| Number of reflections | 108966 | 5654 | 4542 |
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 97.3 | 98.9 | 81.7 |
| Redundancy | 6.6 | 6.9 | 5.5 |
| CC(1/2) | 0.999 | 0.999 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 30% PEG2000 Monoethyl Ether, 0.2 M Potassium Bromide |
