6Z7G
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-21 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.492, 44.144, 78.567 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.363 - 1.590 |
| Rwork | 0.165 |
| R-free | 0.21810 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.175 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.570 | 1.590 |
| High resolution limit [Å] | 1.590 | 1.570 |
| Rmerge | 0.034 | 0.276 |
| Number of reflections | 61018 | 3947 |
| <I/σ(I)> | 21.7 | 4 |
| Completeness [%] | 96.7 | 81.2 |
| Redundancy | 3.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 0.2M BTP pH 6.5, 20% PEG3350, 0.2M NaKtartrate |
