6HSH
Crystal structure of Schistosoma mansoni HDAC8 complexed with Quisinostat
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-25 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.072522 |
Spacegroup name | P 1 |
Unit cell lengths | 70.750, 70.800, 97.820 |
Unit cell angles | 78.03, 75.67, 85.74 |
Refinement procedure
Resolution | 46.470 - 1.545 |
R-factor | 0.1701 |
Rwork | 0.168 |
R-free | 0.20190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bz5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.891 |
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] | 46.470 | 1.600 |
High resolution limit [Å] | 1.545 | 1.545 |
Rmerge | 0.050 | 0.693 |
Number of reflections | 218343 | 11192 |
<I/σ(I)> | 8.31 | 0.95 |
Completeness [%] | 82.8 | 42.36 |
Redundancy | 1.9 | 1.8 |
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 |