5A5P
Crystal structure of human ATAD2 bromodomain in complex with 8-2-(dimethylamino)ethylamino-3-methyl-1,2-dihydroquinolin-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-14 |
| Detector | RIGAKU SATURN A200 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.393, 79.393, 136.901 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.760 - 2.030 |
| R-factor | 0.18864 |
| Rwork | 0.188 |
| R-free | 0.20805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.849 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.760 | 2.140 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.070 | 0.450 |
| Number of reflections | 17065 | |
| <I/σ(I)> | 30.1 | 5.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.4 | 10.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE,20-25% PEG3350 |
