6GXA
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9801 |
Spacegroup name | P 1 |
Unit cell lengths | 70.200, 70.441, 97.721 |
Unit cell angles | 75.55, 78.23, 85.82 |
Refinement procedure
Resolution | 43.146 - 2.100 |
R-factor | 0.1773 |
Rwork | 0.175 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bz5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.998 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_1702) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.270 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 88612 | |
<I/σ(I)> | 7.83 | |
Completeness [%] | 95.9 | |
Redundancy | 2.9 |
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 |