5A81
Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND |
| Synchrotron site | Diamond |
| Temperature [K] | 100 |
| Collection date | 2012-12-13 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.540, 79.540, 138.220 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.790 - 2.030 |
| R-factor | 0.19771 |
| Rwork | 0.197 |
| R-free | 0.21938 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.910 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.650 | 2.080 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.100 | 0.550 |
| Number of reflections | 17310 | |
| <I/σ(I)> | 13.4 | 3.5 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 8.7 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
