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 |