5A5Q
Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one hydrochloride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-23 |
| Detector | RIGAKU SATURN A200 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.463, 79.463, 138.250 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.290 - 1.970 |
| R-factor | 0.22295 |
| Rwork | 0.221 |
| R-free | 0.25244 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.862 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.820 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.070 | 0.430 |
| Number of reflections | 19098 | |
| <I/σ(I)> | 27.9 | 6.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.1 | 10.2 |
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 |
