5FH8
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
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 | 2015-07-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.580, 62.420, 65.820 |
| Unit cell angles | 90.00, 91.75, 90.00 |
Refinement procedure
| Resolution | 64.550 - 1.550 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.22401 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q0o |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.708 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.550 | 6.930 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.053 | 0.696 |
| Number of reflections | 68763 | |
| <I/σ(I)> | 13.3 | 1.5 |
| Completeness [%] | 90.6 | 52.3 |
| Redundancy | 4.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 10% MPD, 0.1 M bicine pH 9 |
