4BZ6
Crystal structure of Schistosoma mansoni HDAC8 complexed with SAHA
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 | CCD |
| Collection date | 2011-11-29 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.640, 70.640, 97.990 |
| Unit cell angles | 77.88, 75.48, 85.69 |
Refinement procedure
| Resolution | 34.740 - 2.000 |
| R-factor | 0.1647 |
| Rwork | 0.163 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t67 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.300 |
| Number of reflections | 117881 | |
| <I/σ(I)> | 21.1 | 3.5 |
| Completeness [%] | 97.5 | 96.5 |
| Redundancy | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |
