6HDN
Crystal structure of human ATAD2 bromodomain in complex with 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-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 | 2014-05-11 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.070, 79.070, 138.388 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 68.480 - 1.900 |
R-factor | 0.19561 |
Rwork | 0.194 |
R-free | 0.22956 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.954 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.480 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 20781 | |
<I/σ(I)> | 12.3 | |
Completeness [%] | 99.6 | |
Redundancy | 11.28 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 1.2-1.5M ammonium sulphate and 20-25% PEG3350. |