9GGH
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) in complex with N-((6-(Hydroxyamino)-6-oxohexyl)oxy)-4-(4-(pyrrolidin-1-yl)phenyl)thiazole-2-carboxamide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-31 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967700 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 42.711, 87.033, 178.864 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.760 - 2.140 |
| R-factor | 0.2094 |
| Rwork | 0.208 |
| R-free | 0.24722 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.760 | 2.200 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Number of reflections | 18936 | 1480 |
| <I/σ(I)> | 6.5 | |
| Completeness [%] | 99.7 | |
| Redundancy | 7.5 | |
| CC(1/2) | 0.994 | 0.203 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M sodium acetate, 0.1 M sodium formate, 22 % PEG 3350 |
