6HSH
Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.072522 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.750, 70.800, 97.820 |
| Unit cell angles | 78.03, 75.67, 85.74 |
Refinement procedure
| Resolution | 46.470 - 1.545 |
| R-factor | 0.1701 |
| Rwork | 0.168 |
| R-free | 0.20190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bz5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.891 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.470 | 1.600 |
| High resolution limit [Å] | 1.545 | 1.545 |
| Rmerge | 0.050 | 0.693 |
| Number of reflections | 218343 | 11192 |
| <I/σ(I)> | 8.31 | 0.95 |
| Completeness [%] | 82.8 | 42.36 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |
