6HSG
Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-11 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.872900 |
Spacegroup name | P 1 |
Unit cell lengths | 70.800, 70.830, 98.350 |
Unit cell angles | 78.31, 75.80, 85.98 |
Refinement procedure
Resolution | 43.480 - 1.846 |
R-factor | 0.2088 |
Rwork | 0.206 |
R-free | 0.25320 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.887 |
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] | 43.480 | 1.912 |
High resolution limit [Å] | 1.846 | 1.846 |
Rmerge | 0.155 | 0.793 |
Number of reflections | 151492 | 14080 |
<I/σ(I)> | 5.5 | 1.37 |
Completeness [%] | 97.2 | 89.93 |
Redundancy | 3.6 | 3.5 |
CC(1/2) | 0.989 | 0.465 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M NA,K L-TARTRATE, 21% (W/V) PEG3350 |