9GGK
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) in complex with N-((6-(Hydroxyamino)-6-oxohexyl)oxy)-4-(4-methoxyphenyl)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 | 2024-01-30 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.967700 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 42.278, 87.098, 179.771 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.983 - 1.900 |
| Rwork | 0.208 |
| R-free | 0.26720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.876 |
| 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] | 44.983 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 25240 | 1550 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 94.6 | 90.6 |
| Redundancy | 7.5 | 6.8 |
| CC(1/2) | 0.995 | 0.453 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M sodium acetate, 0.1 sodium formate, 28% PEG 3350 |
