4BZ7
Crystal structure of Schistosoma mansoni HDAC8 complexed with M344
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 | 70.557, 70.579, 98.513 |
Unit cell angles | 78.05, 75.41, 85.49 |
Refinement procedure
Resolution | 24.160 - 1.650 |
R-factor | 0.1555 |
Rwork | 0.155 |
R-free | 0.17190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t67 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.940 |
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 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.060 | 0.210 |
Number of reflections | 207485 | |
<I/σ(I)> | 29.8 | 4.8 |
Completeness [%] | 96.9 | 95.5 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |