6HTG
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-11-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.006365 |
| Spacegroup name | P 1 |
| Unit cell lengths | 70.660, 70.640, 98.330 |
| Unit cell angles | 77.73, 75.86, 85.63 |
Refinement procedure
| Resolution | 49.248 - 1.939 |
| R-factor | 0.1713 |
| Rwork | 0.169 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bz5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.250 | 2.008 |
| High resolution limit [Å] | 1.939 | 1.939 |
| Rmerge | 0.259 | 0.447 |
| Number of reflections | 127015 | 11790 |
| <I/σ(I)> | 3.44 | 1.42 |
| Completeness [%] | 95.1 | 88.06 |
| Redundancy | 3.6 | 3.4 |
| CC(1/2) | 0.917 | 0.732 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |
