6TLD
Crystal structure of Schistosoma mansoni HDAC8 complexed with a triazole hydroxamate inhibitor 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.072522 |
Spacegroup name | P 1 |
Unit cell lengths | 70.640, 70.720, 98.050 |
Unit cell angles | 78.08, 75.69, 85.72 |
Refinement procedure
Resolution | 50.000 - 1.610 |
R-factor | 0.1674 |
Rwork | 0.166 |
R-free | 0.19530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bz5 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.855 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.610 | 1.610 |
Number of reflections | 213325 | 32281 |
<I/σ(I)> | 11.4 | 1.04 |
Completeness [%] | 92.2 | 86.3 |
Redundancy | 3.6 | 3.5 |
CC(1/2) | 0.999 | 0.498 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NA,K L-TARTRATE 21% (W/V) PEG3350 |