5FG5
Crystal structure of the bromodomain of human BRPF1 in complex with PFI-4 chemical probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9796 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 57.919, 68.141, 72.656 |
| Unit cell angles | 90.00, 94.33, 90.00 |
Refinement procedure
| Resolution | 28.880 - 1.500 |
| R-factor | 0.16762 |
| Rwork | 0.167 |
| R-free | 0.18614 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lc2 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.872 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.880 | 1.520 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.034 | 0.122 |
| Number of reflections | 44788 | |
| <I/σ(I)> | 27.7 | 8.7 |
| Completeness [%] | 98.9 | 83.7 |
| Redundancy | 6.4 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 15% PEG3350, 0.25 M sodium nitrate |
