6HAX
Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.508, 116.241, 120.596 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.410 - 2.350 |
R-factor | 0.234 |
Rwork | 0.232 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5t35 4qy4 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS (Jan 26, 2018) |
Data scaling software | XSCALE (Jan 26, 2018) |
Phasing software | PHASER (2.4.0) |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.410 | 2.490 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.179 | 0.960 |
Rmeas | 0.187 | 1.003 |
Number of reflections | 47960 | 7495 |
<I/σ(I)> | 11.76 | 2.08 |
Completeness [%] | 99.6 | 97.9 |
Redundancy | 11.9 | 11.79 |
CC(1/2) | 0.997 | 0.835 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 277 | 13% (w/v) PEG 3350, 0.2 M sodium formate, 0.1 M HEPES, pH 8.0 |