6ONY
BRD2_Bromodomain1 complex with inhibitor 744
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.662, 56.071, 106.981 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.490 - 1.980 |
| R-factor | 0.2 |
| Rwork | 0.198 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.880 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.491 | 2.009 |
| High resolution limit [Å] | 1.975 | 1.975 |
| Rmerge | 0.056 | 0.950 |
| Rmeas | 0.065 | |
| Rpim | 0.025 | 0.386 |
| Number of reflections | 20711 | 1032 |
| <I/σ(I)> | 16.6 | 2.5 |
| Completeness [%] | 97.6 | 96.7 |
| Redundancy | 6.4 | 6.9 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 290 | 0.665 M Ammonium Tartrate, 0.095 M Tris pH 8.5 |
