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 |