7NQ7
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(1-phenylethoxy)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 | 2015-03-11 |
| Detector | RIGAKU SATURN A200 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.615, 52.296, 31.882 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.550 - 1.700 |
| Rwork | 0.171 |
| R-free | 0.23210 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.298 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.550 | 1.830 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.055 | 0.350 |
| Number of reflections | 12655 | 2459 |
| <I/σ(I)> | 16.4 | 3.1 |
| Completeness [%] | 92.5 | 89.1 |
| Redundancy | 4 | 3.8 |
| CC(1/2) | 0.990 | 0.587 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 30% PEG 300, 0.1M MES buffer pH6.5 |
