4CQF
Crystal structure of Schistosoma mansoni HDAC8 complexed with a mercaptoacetamide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-09-20 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | P 1 |
Unit cell lengths | 70.778, 70.815, 98.024 |
Unit cell angles | 77.79, 75.45, 85.40 |
Refinement procedure
Resolution | 32.890 - 2.300 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.23230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bz6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
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 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.110 | 0.340 |
Number of reflections | 80076 | |
<I/σ(I)> | 15.2 | 4.2 |
Completeness [%] | 96.3 | 93.8 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |