5FUE
Crystal structure of Schistosoma mansoni HDAC8 complexed with 3- benzamido-benzohydroxamate
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 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.955, 70.669, 98.656 |
| Unit cell angles | 77.99, 75.41, 85.40 |
Refinement procedure
| Resolution | 42.145 - 2.199 |
| R-factor | 0.1501 |
| Rwork | 0.148 |
| R-free | 0.19570 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.980 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.120 | 0.290 |
| Number of reflections | 88530 | |
| <I/σ(I)> | 17.88 | 4.75 |
| Completeness [%] | 96.4 | 94.8 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M NA,K L-TARTRATE 21% (W/V) PEG3350 |
