6HT8
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 3
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 | 2012-12-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98011 |
Spacegroup name | P 1 |
Unit cell lengths | 70.788, 70.921, 98.342 |
Unit cell angles | 77.90, 75.58, 85.33 |
Refinement procedure
Resolution | 35.625 - 2.497 |
R-factor | 0.1617 |
Rwork | 0.158 |
R-free | 0.23550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bz5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.166 |
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] | 35.625 | 2.586 |
High resolution limit [Å] | 2.497 | 2.497 |
Rmerge | 0.114 | 0.274 |
Number of reflections | 61526 | 5949 |
<I/σ(I)> | 10.34 | 3 |
Completeness [%] | 97.7 | 93.95 |
Redundancy | 3.2 | 3.2 |
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 |