6HID
The ATAD2 bromodomain in complex with compound 16
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 | 2017-12-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999987 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 79.831, 79.831, 138.001 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.916 - 1.768 |
| R-factor | 0.2084 |
| Rwork | 0.206 |
| R-free | 0.24260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5f36 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.054 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3211: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.916 | 1.880 |
| High resolution limit [Å] | 1.768 | 1.770 |
| Rmeas | 0.046 | 1.923 |
| Number of reflections | 47736 | 7333 |
| <I/σ(I)> | 18.51 | |
| Completeness [%] | 99.0 | 94.1 |
| Redundancy | 6.09 | 2.99 |
| CC(1/2) | 1.000 |
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 |
