6HI5
The ATAD2 bromodomain in complex with compound 8
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 | 2016-11-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999870 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.322, 79.322, 136.484 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.661 - 1.590 |
| R-factor | 0.2019 |
| Rwork | 0.201 |
| R-free | 0.21760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f36 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.372 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3211: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.661 | 1.690 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmeas | 0.081 | 1.735 |
| Number of reflections | 64390 | 10212 |
| <I/σ(I)> | 17.06 | |
| Completeness [%] | 99.6 | 97.5 |
| Redundancy | 10.22 | 9.3 |
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 |
