4BZ7
Crystal structure of Schistosoma mansoni HDAC8 complexed with M344
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 | 2011-12-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.557, 70.579, 98.513 |
| Unit cell angles | 78.05, 75.41, 85.49 |
Refinement procedure
| Resolution | 24.160 - 1.650 |
| R-factor | 0.1555 |
| Rwork | 0.155 |
| R-free | 0.17190 |
| 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] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.060 | 0.210 |
| Number of reflections | 207485 | |
| <I/σ(I)> | 29.8 | 4.8 |
| Completeness [%] | 96.9 | 95.5 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |
