6BOY
Crystal structure of DDB1-CRBN-BRD4(BD1) complex bound to dBET6 PROTAC.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 115.406, 115.406, 588.143 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.793 - 3.330 |
R-factor | 0.2014 |
Rwork | 0.199 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bn7 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.500 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.793 | 3.490 |
High resolution limit [Å] | 3.330 | 3.330 |
Rmerge | 0.179 | 5.471 |
Rmeas | 0.185 | 5.632 |
Rpim | 0.044 | 1.334 |
Number of reflections | 35541 | 4600 |
<I/σ(I)> | 16.4 | 0.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 32.2 | 33.2 |
CC(1/2) | 1.000 | 0.469 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 9% (w/v) PEG20K, 18% (v/v) PEG MME 550, 0.09M BICINE pH8.5, 9% (v/v) Silver bullet D11 (0.25% w/v 2,6-Naphthalenedisulfonic acid disodium salt, 0.25% w/v 4-Aminobenzoic acid, 0.25% w/v 5-Sulfosalicylic acid dihydrate, 0.25% w/v Naphthalene-1,3,6-trisulfonic acid trisodium salt hydrate, 0.02 M HEPES sodium pH 6.8) |