6YB4
Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-(3-methylpyrrolidin-1-yl)sulfonyl)phenyl)-2-(-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.407, 79.407, 137.969 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.768 - 1.850 |
| Rwork | 0.190 |
| R-free | 0.21520 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.178 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.770 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.062 | 0.508 |
| Number of reflections | 22564 | 3215 |
| <I/σ(I)> | 20.7 | 6.1 |
| Completeness [%] | 99.2 | |
| Redundancy | 18.9 | |
| CC(1/2) | 1.000 | 0.961 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate |
