8BB2
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-10 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.999995 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.262, 85.731, 197.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.010 - 2.050 |
| R-factor | 0.2011 |
| Rwork | 0.199 |
| R-free | 0.23730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7q2j |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.501 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.260 | 47.260 | 2.110 |
| High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
| Rmerge | 0.168 | 0.039 | 1.541 |
| Rmeas | 0.175 | 0.041 | 1.602 |
| Rpim | 0.048 | 0.012 | 0.435 |
| Total number of observations | 680581 | 8773 | 51529 |
| Number of reflections | 51530 | 741 | 3896 |
| <I/σ(I)> | 13.6 | 50.6 | 1.9 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 13.2 | 11.8 | 13.2 |
| CC(1/2) | 0.998 | 0.999 | 0.779 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 21-28% PEG 3350 0.4-1 M KSCN 0.1 M HEPES 6.8 |
