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 |
