5F3A
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.938, 79.938, 137.533 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.788 - 1.599 |
| R-factor | 0.1807 |
| Rwork | 0.179 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dai |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.777 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 69.228 | 48.788 | 1.690 |
| High resolution limit [Å] | 1.599 | 5.060 | 1.600 |
| Rmerge | 0.032 | 0.663 | |
| Rmeas | 0.048 | ||
| Rpim | 0.011 | 0.008 | 0.155 |
| Total number of observations | 667289 | 20995 | 91690 |
| Number of reflections | 34993 | ||
| <I/σ(I)> | 35.8 | 81.4 | 5.1 |
| Completeness [%] | 99.6 | 99.9 | 97.5 |
| Redundancy | 19.1 | 16.2 | 18.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5 |
