8PXA
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (S)-5-(1-((1-(1-isopropylpiperidine-4-carbonyl)piperidin-3-yl)methyl)-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979507 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.845, 47.236, 58.974 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.544 - 1.300 |
Rwork | 0.198 |
R-free | 0.21750 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 1.193 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.970 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.060 | 0.475 |
Number of reflections | 31016 | 4029 |
<I/σ(I)> | 13.8 | 1.9 |
Completeness [%] | 98.5 | 90.4 |
Redundancy | 5.8 | 2.9 |
CC(1/2) | 0.999 | 0.751 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.1M Tris pH8.5, 12% w/v PEG4K |