6HT8
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3
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 | 2012-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.788, 70.921, 98.342 |
| Unit cell angles | 77.90, 75.58, 85.33 |
Refinement procedure
| Resolution | 35.625 - 2.497 |
| R-factor | 0.1617 |
| Rwork | 0.158 |
| R-free | 0.23550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bz5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.166 |
| 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] | 35.625 | 2.586 |
| High resolution limit [Å] | 2.497 | 2.497 |
| Rmerge | 0.114 | 0.274 |
| Number of reflections | 61526 | 5949 |
| <I/σ(I)> | 10.34 | 3 |
| Completeness [%] | 97.7 | 93.95 |
| Redundancy | 3.2 | 3.2 |
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 |
