4BZ5
Crystal structure of Schistosoma mansoni HDAC8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.649, 70.734, 98.295 |
| Unit cell angles | 75.90, 78.32, 85.59 |
Refinement procedure
| Resolution | 31.370 - 1.785 |
| R-factor | 0.1561 |
| Rwork | 0.154 |
| R-free | 0.18830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t67 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.881 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.820 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rmerge | 0.030 | 0.130 |
| Number of reflections | 166229 | |
| <I/σ(I)> | 26.5 | 5 |
| Completeness [%] | 97.2 | 93.4 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |
