5HRW
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9207 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.111, 59.101, 105.485 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.550 - 1.800 |
| R-factor | 0.20377 |
| Rwork | 0.202 |
| R-free | 0.23573 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g0j |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.931 |
| 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] | 29.550 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.053 | 0.735 |
| Number of reflections | 23971 | |
| <I/σ(I)> | 18.5 | 2.2 |
| Completeness [%] | 97.4 | 93.2 |
| Redundancy | 5 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M ammonium sulfate, 0.1 M MES pH 6.5, 30% PEGMME5k |
