5HRV
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
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 | 2014-01-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.817, 140.272, 41.553 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.910 - 1.700 |
| R-factor | 0.1793 |
| Rwork | 0.178 |
| R-free | 0.20760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g0j |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.554 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.910 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.043 | 0.360 |
| Number of reflections | 19011 | |
| <I/σ(I)> | 28.2 | 3.9 |
| Completeness [%] | 99.3 | 89.7 |
| Redundancy | 7.8 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M tris-sodium citrate dihydrate pH 5.6, 20% isopropanol, 20% PEG4K |
