9F1J
First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14
This is a non-PDB format compatible entry.
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 | 2021-08-18 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.881, 50.473, 58.494 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.214 - 1.130 |
R-factor | 0.159129533173 |
Rwork | 0.158 |
R-free | 0.18499 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.800 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.880 | 1.150 |
High resolution limit [Å] | 1.130 | 1.130 |
Rmerge | 0.059 | 0.694 |
Number of reflections | 43620 | 2020 |
<I/σ(I)> | 16.9 | 3.2 |
Completeness [%] | 99.4 | |
Redundancy | 9.4 | |
CC(1/2) | 0.999 | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | Protein solution:10 mg/mL in 25 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP, 5% glycerol, 1 mM degrader 14. Crystallization condition: 25% PEG 3350, 0.25 M sodium nitrate, 15% ethylene glycol, 0.1 M bis-tris propane pH 8.2. |