6R0K
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS208
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2019-01-16 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 84.028, 93.886, 51.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.940 - 1.150 |
| R-factor | 0.17039 |
| Rwork | 0.170 |
| R-free | 0.17823 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5eek |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.646 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.220 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.055 | 0.960 |
| Number of reflections | 138875 | 21216 |
| <I/σ(I)> | 15.13 | 1.79 |
| Completeness [%] | 95.3 | 91 |
| Redundancy | 6.8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 283 | 19 % PEG 3350, 0.2 M KSCN, 0,1 M Bis Tris pH 6.5 |
