8QH9
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a S-29b
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 | 2021-10-20 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 84.390, 94.260, 51.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.130 - 1.590 |
| R-factor | 0.19835 |
| Rwork | 0.197 |
| R-free | 0.22635 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.621 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.033 | |
| Rmeas | 0.034 | |
| Number of reflections | 56166 | 8875 |
| <I/σ(I)> | 10.35 | |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 13.2 | 13.5 |
| CC(1/2) | 0.997 | 0.450 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 282 | 16 % (v/v) PEG 3350 0.2 M KSCN 0.1 M Bis-Tris pH 6.5 |
