7OER
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2,2-diphenylethyl)-1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
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 | 2016-02-04 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 72.101, 52.536, 32.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.725 - 1.602 |
| Rwork | 0.155 |
| R-free | 0.17900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | in house structure |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.166 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.540 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.023 | 0.155 |
| Number of reflections | 15685 | 1773 |
| <I/σ(I)> | 26.9 | 5.5 |
| Completeness [%] | 94.4 | 75 |
| Redundancy | 2.8 | 1.9 |
| CC(1/2) | 0.995 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |
