5FH6
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.871, 136.416, 56.752 |
| Unit cell angles | 90.00, 92.33, 90.00 |
Refinement procedure
| Resolution | 29.728 - 2.300 |
| R-factor | 0.2573 |
| Rwork | 0.254 |
| R-free | 0.31000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q0o |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.750 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.730 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.086 | 0.721 |
| Number of reflections | 28108 | |
| <I/σ(I)> | 11.8 | 2.2 |
| Completeness [%] | 99.3 | 93.3 |
| Redundancy | 6.7 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 0.2 M LiSO4, 0.1 M bis-tris pH 6.5, 25% PEG 3350 |
