5FH7
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18
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 PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.980, 59.210, 138.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.530 - 1.470 |
| R-factor | 0.18785 |
| Rwork | 0.187 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q0o |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.649 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.210 | 6.570 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.052 | 0.565 |
| Number of reflections | 56934 | |
| <I/σ(I)> | 21.4 | 2.1 |
| Completeness [%] | 95.2 | 68.3 |
| Redundancy | 7.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 0.1 M magnesium formate, 15% PEG 3350 |
