6TCY
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS555
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-16 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.809, 83.811, 86.092 |
| Unit cell angles | 90.00, 97.97, 90.00 |
Refinement procedure
| Resolution | 54.340 - 1.600 |
| R-factor | 0.192 |
| Rwork | 0.191 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eek |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.260 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.151 | 1.056 |
| Rmeas | 0.179 | 1.270 |
| Rpim | 0.095 | 0.693 |
| Number of reflections | 100361 | 5038 |
| <I/σ(I)> | 6.5 | 1.3 |
| Completeness [%] | 98.8 | 99.6 |
| Redundancy | 6.7 | 6.4 |
| CC(1/2) | 0.994 | 0.612 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 283 | 0.1 M Bis Tris, 0,2 M KSCN, 16% PEG 3350 Protein stock buffer: 5% DMSO, 0.004M SS555, 0.05 M Hepes pH 7.5, 0.001M TCEP, 5% v/v glycerol, 0.1M KCl |
