8BB4
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with C3 linker
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) | 0.999998 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.786, 184.506, 47.951 |
| Unit cell angles | 90.00, 102.78, 90.00 |
Refinement procedure
| Resolution | 92.250 - 2.800 |
| R-factor | 0.2062 |
| Rwork | 0.203 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7q2j |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.199 |
| Data reduction software | xia2 |
| 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] | 184.510 | 184.510 | 2.950 |
| High resolution limit [Å] | 2.800 | 8.850 | 2.800 |
| Rmerge | 0.105 | 0.026 | 0.459 |
| Rmeas | 0.149 | 0.037 | 0.650 |
| Rpim | 0.105 | 0.026 | 0.459 |
| Total number of observations | 38524 | 1246 | 5619 |
| Number of reflections | 19494 | 646 | 2832 |
| <I/σ(I)> | 6 | 24.1 | 1.2 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 2 | 1.9 | 2 |
| CC(1/2) | 0.984 | 0.997 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 21-28% PEG 3350 0.4 M KSCN 0.1 M HEPES pH 6.8 |
