8BB5
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with Aryl linker
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999998 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.120, 86.689, 196.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.200 - 2.200 |
| R-factor | 0.2022 |
| Rwork | 0.200 |
| R-free | 0.24790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7q2j |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.419 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.200 | 49.150 | 2.270 |
| High resolution limit [Å] | 2.200 | 9.070 | 2.200 |
| Rmerge | 0.166 | 0.049 | 1.012 |
| Rmeas | 0.176 | 0.052 | 1.072 |
| Rpim | 0.058 | 0.018 | 0.345 |
| Total number of observations | 5797 | 33908 | |
| Number of reflections | 42660 | 725 | 3607 |
| <I/σ(I)> | 10.1 | 26.8 | 2.7 |
| Completeness [%] | 99.8 | 99.6 | 99.8 |
| Redundancy | 9.1 | 8 | 9.4 |
| CC(1/2) | 0.997 | 0.998 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 21% PEG 3350, 0.4-1 M KSCN 0.1 M HEPES pH 6.8 |
