5OWA
Crystal structure of the human BRPF1 bromodomain in complex with BZ054
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 | 2016-11-27 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000020 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.889, 92.299, 81.217 |
| Unit cell angles | 90.00, 101.22, 90.00 |
Refinement procedure
| Resolution | 39.930 - 1.950 |
| R-factor | 0.222 |
| Rwork | 0.219 |
| R-free | 0.26770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lc2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.025 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.930 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.083 | 0.469 |
| Number of reflections | 34898 | 5200 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 94.9 | 96.5 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.991 | 0.762 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M MgCl2, 20% PEG3350 |
