4CQF
Crystal structure of Schistosoma mansoni HDAC8 complexed with a mercaptoacetamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-09-20 |
| Detector | RIGAKU SATURN 944 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.778, 70.815, 98.024 |
| Unit cell angles | 77.79, 75.45, 85.40 |
Refinement procedure
| Resolution | 32.890 - 2.300 |
| R-factor | 0.1922 |
| Rwork | 0.190 |
| R-free | 0.23230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bz6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| 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 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 | 0.340 |
| Number of reflections | 80076 | |
| <I/σ(I)> | 15.2 | 4.2 |
| Completeness [%] | 96.3 | 93.8 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |
