8BB3
Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #1)
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 | 2022-02-11 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.999995 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.572, 189.858, 49.723 |
Unit cell angles | 90.00, 117.64, 90.00 |
Refinement procedure
Resolution | 42.910 - 1.800 |
R-factor | 0.1943 |
Rwork | 0.193 |
R-free | 0.22660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7q2j |
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] | 47.460 | 47.460 | 1.840 |
High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
Rmerge | 0.080 | 0.032 | 1.047 |
Rmeas | 0.088 | 0.034 | 1.149 |
Rpim | 0.036 | 0.014 | 0.467 |
Total number of observations | 411472 | 3490 | 23741 |
Number of reflections | 70262 | 600 | 4054 |
<I/σ(I)> | 12.2 | 42.4 | 1.6 |
Completeness [%] | 97.7 | 99 | 95.8 |
Redundancy | 5.9 | 5.8 | 5.9 |
CC(1/2) | 0.999 | 0.999 | 0.745 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 21-26% PEG 3350 0.4-1 M KSCN 0.1 M HEPES |