5CQ4
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 3'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
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 | 2013-03-09 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 81.756, 96.541, 57.854 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.571 - 1.782 |
| R-factor | 0.1966 |
| Rwork | 0.195 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data scaling software | Aimless (0.1.29) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.940 | 29.940 | 1.820 |
| High resolution limit [Å] | 1.780 | 8.910 | 1.780 |
| Rmerge | 0.075 | 0.032 | 0.781 |
| Rpim | 0.032 | 0.014 | 0.351 |
| Total number of observations | 139341 | 1285 | 5165 |
| Number of reflections | 21809 | ||
| <I/σ(I)> | 12.8 | 38.4 | 1.5 |
| Completeness [%] | 98.1 | 97.8 | 77.6 |
| Redundancy | 6.4 | 6.1 | 5.2 |
| CC(1/2) | 0.998 | 0.997 | 0.822 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 30% PEG600 , 0.1M MES pH 6.0 |
