5A83
Crystal structure of human ATAD2 bromodomain in complex with 4-((3R, 4R)-4-3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydroquinolin-8- yl-aminopiperidin-3-yloxymethyl)-1-thiane-1,1-dione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-24 |
| Detector | RIGAKU SATURN A200 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.172, 79.172, 137.617 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 137.620 - 2.090 |
| R-factor | 0.17237 |
| Rwork | 0.170 |
| R-free | 0.21064 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.915 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 137.620 | 2.210 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.100 | 0.540 |
| Number of reflections | 15746 | |
| <I/σ(I)> | 24.3 | 5.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 277 | 0.05M TRIS PH 7.5, 20-25% PEG3350. 1.5M AMSO4 4C |
