6HTH
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.520, 70.555, 98.232 |
| Unit cell angles | 78.36, 75.84, 85.74 |
Refinement procedure
| Resolution | 46.757 - 1.950 |
| R-factor | 0.2128 |
| Rwork | 0.210 |
| R-free | 0.25720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bz5 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.364 |
| 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] | 46.757 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.174 | 0.779 |
| Number of reflections | 125331 | 12675 |
| <I/σ(I)> | 4.18 | 1.38 |
| Completeness [%] | 95.6 | 96.45 |
| Redundancy | 2.8 | 2.8 |
| CC(1/2) | 0.977 | 0.408 |
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 |
