6TQ1
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-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 | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-12 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.931, 55.606, 68.023 |
| Unit cell angles | 90.00, 94.43, 90.00 |
Refinement procedure
| Resolution | 25.725 - 1.900 |
| Rwork | 0.170 |
| R-free | 0.21350 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.730 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.057 | 0.370 |
| Number of reflections | 33916 | 4947 |
| <I/σ(I)> | 13.5 | 2.9 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Hepes pH 7.0, 24-28% PEG3350, 0.2M (NH4)2SO4 |
