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 |