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 |