5A5O
Crystal structure of human ATAD2 bromodomain in complex with 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 | 2015-05-31 |
| Detector | RIGAKU SATURN A200 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.423, 79.423, 137.198 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.360 - 2.040 |
| R-factor | 0.17792 |
| Rwork | 0.177 |
| R-free | 0.19888 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.865 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 137.200 | 2.150 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.090 | 0.520 |
| Number of reflections | 17065 | |
| <I/σ(I)> | 25.3 | 4.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.2 | 10.3 |
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 |
