4BZ9
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.280, 70.316, 98.130 |
| Unit cell angles | 77.93, 75.59, 85.54 |
Refinement procedure
| Resolution | 20.160 - 2.000 |
| R-factor | 0.1923 |
| Rwork | 0.191 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t67 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.220 |
| Number of reflections | 116716 | |
| <I/σ(I)> | 17.2 | 4.6 |
| Completeness [%] | 97.1 | 95.6 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M NA,K L-TARTRATE 21% (W/V); PEG3350 |
