6HTZ
Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976252 |
Spacegroup name | P 1 |
Unit cell lengths | 71.260, 71.260, 99.070 |
Unit cell angles | 77.90, 75.53, 85.44 |
Refinement procedure
Resolution | 48.320 - 1.841 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.21820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bz5 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.842 |
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] | 48.330 | 1.907 |
High resolution limit [Å] | 1.841 | 1.841 |
Rmerge | 0.155 | 0.910 |
Number of reflections | 149080 | 13893 |
<I/σ(I)> | 8.4 | |
Completeness [%] | 93.3 | 86.82 |
Redundancy | 3.3 | 3.1 |
CC(1/2) | 0.985 | 0.550 |
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 |