7OET
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,5-dimethyl-N-(2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl)-6-oxo-N-(2-phenyl-2-(pyridin-2-yl)ethyl)-1,6-dihydropyridine-3-carboxamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-15 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.96600 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.620, 52.390, 31.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.696 - 1.410 |
| Rwork | 0.180 |
| R-free | 0.19590 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | in house structure |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.128 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.290 | 1.430 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.037 | 0.656 |
| Number of reflections | 23909 | 1157 |
| <I/σ(I)> | 17.4 | 2.1 |
| Completeness [%] | 99.3 | 99.6 |
| Redundancy | 4.3 | 4.5 |
| CC(1/2) | 0.999 | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |
