5A5N
Crystal structure of human ATAD2 bromodomain in complex with (2S)-2,6- diacetamido-N-methylhexanamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Collection date | 2012-03-02 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.090, 79.090, 137.980 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 68.490 - 1.950 |
| R-factor | 0.1808 |
| Rwork | 0.180 |
| R-free | 0.19596 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.866 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.600 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 19346 | |
| <I/σ(I)> | 18.5 | 5.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.1 | 11.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 50MM BIS-TRIS PROPANE, PH7, 300MM NACL, 1MM DTT, 10% GLYCEROL |
