6HIB
The ATAD2 bromodomain in complex with compound 14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-27 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.000031 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 80.020, 80.020, 138.337 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.956 - 2.029 |
| R-factor | 0.2107 |
| Rwork | 0.208 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f36 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.139 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.956 | 2.150 |
| High resolution limit [Å] | 2.029 | 2.030 |
| Rmeas | 0.107 | 1.360 |
| Number of reflections | 32104 | 5177 |
| <I/σ(I)> | 13.42 | |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 5.67 | 5.04 |
| CC(1/2) | 0.999 | 0.523 |
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 |
