4BZ9
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1075
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 |
Spacegroup name | P 1 |
Unit cell lengths | 70.280, 70.316, 98.130 |
Unit cell angles | 77.93, 75.59, 85.54 |
Refinement procedure
Resolution | 20.160 - 2.000 |
R-factor | 0.1923 |
Rwork | 0.191 |
R-free | 0.22120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t67 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.950 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.120 | 0.220 |
Number of reflections | 116716 | |
<I/σ(I)> | 17.2 | 4.6 |
Completeness [%] | 97.1 | 95.6 |
Redundancy | 2.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M NA,K L-TARTRATE 21% (W/V); PEG3350 |