6S57
Crystal structure of human ATAD2 bromodomain in complex withN-(3-(azepan-1-ylsulfonyl)-4-methylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-07 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.690, 79.690, 137.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.850 - 1.820 |
| R-factor | 0.1744 |
| Rwork | 0.173 |
| R-free | 0.19995 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.396 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.850 | 1.870 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 23434 | 1674 |
| <I/σ(I)> | 19.7 | |
| Completeness [%] | 98.8 | |
| Redundancy | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350 |
