5A82
Crystal structure of human ATAD2 bromodomain in complex with 4-(3R,4R) -4-(3-methyl-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl)aminopiperidin-3- yloxymethyl)-1-thiane-1,1-dione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Collection date | 2013-03-07 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.170, 79.170, 137.130 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 61.330 - 1.860 |
| R-factor | 0.18243 |
| Rwork | 0.181 |
| R-free | 0.20769 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.878 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.560 | 1.910 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.090 | 0.720 |
| Number of reflections | 20685 | |
| <I/σ(I)> | 14.2 | 2.9 |
| Completeness [%] | 94.9 | 96.7 |
| Redundancy | 11 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE AND 20-25% PEG3350 |
