8PIQ
Crystal Structure of BRD4-BD1 with BI894999
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.676, 43.314, 81.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.710 - 1.117 |
| R-factor | 0.1682 |
| Rwork | 0.167 |
| R-free | 0.18670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.280 |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.710 | 1.120 |
| High resolution limit [Å] | 1.117 | 1.117 |
| Rmerge | 0.048 | 0.500 |
| Number of reflections | 51123 | 1022 |
| <I/σ(I)> | 15.6 | 2.3 |
| Completeness [%] | 89.9 | 45.2 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100mM Imidazole pH 6.9 13.5% w/v PEG8000 |
