5A83
Crystal structure of human ATAD2 bromodomain in complex with 4-((3R, 4R)-4-3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydroquinolin-8- yl-aminopiperidin-3-yloxymethyl)-1-thiane-1,1-dione
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-24 |
Detector | RIGAKU SATURN A200 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 79.172, 79.172, 137.617 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 137.620 - 2.090 |
R-factor | 0.17237 |
Rwork | 0.170 |
R-free | 0.21064 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.006 |
RMSD bond angle | 0.915 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 137.620 | 2.210 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.100 | 0.540 |
Number of reflections | 15746 | |
<I/σ(I)> | 24.3 | 5.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11 | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 277 | 0.05M TRIS PH 7.5, 20-25% PEG3350. 1.5M AMSO4 4C |