5A5R
Crystal structure of human ATAD2 bromodomain in complex with 5-5- methoxypyridin-3-yl-3-methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7- naphthyridin-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-07 |
| Detector | PILATUS |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.530, 79.530, 137.590 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.790 - 2.010 |
| R-factor | 0.17967 |
| Rwork | 0.179 |
| R-free | 0.19974 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.902 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.790 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.080 | 0.720 |
| Number of reflections | 17849 | |
| <I/σ(I)> | 17.3 | 3.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.1 | 9.9 |
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 |
