6FU1
Crystal structure of Schistosoma mansoni HDAC8 complexed with a n-alkyl hydroxamate
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 | 2011-12-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 |
Unit cell lengths | 70.710, 70.690, 99.190 |
Unit cell angles | 75.33, 77.78, 84.80 |
Refinement procedure
Resolution | 41.962 - 1.548 |
R-factor | 0.2006 |
Rwork | 0.199 |
R-free | 0.22270 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.860 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.962 | 1.590 |
High resolution limit [Å] | 1.548 | 1.548 |
Rmerge | 0.063 | 0.747 |
Number of reflections | 253075 | |
<I/σ(I)> | 11.87 | 1.94 |
Completeness [%] | 95.6 | 87.8 |
Redundancy | 3.5 | 2.9 |
CC(1/2) | 0.994 | 0.600 |
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 |