6HQY
Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2012-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.877, 71.053, 98.198 |
| Unit cell angles | 78.06, 75.61, 85.45 |
Refinement procedure
| Resolution | 42.760 - 2.501 |
| R-factor | 0.1843 |
| Rwork | 0.180 |
| R-free | 0.25350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bz5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.032 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_1796) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rpim | 0.063 | |
| Number of reflections | 60928 | |
| <I/σ(I)> | 8.36 | |
| Completeness [%] | 97.0 | |
| Redundancy | 3.4 |
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 |
