28OI
The crystal structure of zebrafish HDAC6 CD2 in complex with compound 2
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-01-11 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.659, 92.163, 97.249 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.890 - 1.980 |
| R-factor | 0.232 |
| Rwork | 0.229 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.250 | 2.080 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 46725 | 5970 |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 98.1 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.987 | 0.330 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 50mM HEPES pH 7,5, 100 mM KCl, 1 mM TCEP, 5% Glycerol |
