4ZW1
Crystal structure of hBRD4 in complex with BL-BI06 reveals a novel synthesized inhibitor that induces Beclin1-independent/ATG5-dependent autophagic cell death in breast cancer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2014-10-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979150 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.911, 52.908, 55.341 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.240 - 1.750 |
| R-factor | 0.1875 |
| Rwork | 0.184 |
| R-free | 0.24900 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.987 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.059 | 0.032 | 0.622 |
| Total number of observations | 88641 | ||
| Number of reflections | 12705 | ||
| <I/σ(I)> | 12 | ||
| Completeness [%] | 98.1 | 90.7 | 98.6 |
| Redundancy | 7 | 6.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2M ammonium phosphate dibasic, 20% PEG 3350 |
