5FUE
Crystal structure of Schistosoma mansoni HDAC8 complexed with 3- benzamido-benzohydroxamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2012-12-16 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 |
Unit cell lengths | 70.955, 70.669, 98.656 |
Unit cell angles | 77.99, 75.41, 85.40 |
Refinement procedure
Resolution | 42.145 - 2.199 |
R-factor | 0.1501 |
Rwork | 0.148 |
R-free | 0.19570 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 0.980 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.120 | 0.290 |
Number of reflections | 88530 | |
<I/σ(I)> | 17.88 | 4.75 |
Completeness [%] | 96.4 | 94.8 |
Redundancy | 2.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M NA,K L-TARTRATE 21% (W/V) PEG3350 |