6ZW1
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with an inhibitor SW101
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2019-01-16 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.918 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 83.933, 94.158, 51.487 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.080 - 1.130 |
R-factor | 0.1399 |
Rwork | 0.140 |
R-free | 0.15860 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6r0k |
RMSD bond length | 0.014 |
RMSD bond angle | 1.748 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.200 |
High resolution limit [Å] | 1.130 | 1.130 |
Number of reflections | 152836 | 24308 |
<I/σ(I)> | 12.78 | 1.73 |
Completeness [%] | 99.8 | |
Redundancy | 6.5 | |
CC(1/2) | 0.999 | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 283 | 21% PEG 3350 (Sigma-Aldrich), 0.2 M KSCN (Hampton research), 0.1 M Bis-Tris (Sigma-Aldrich) at pH 6.5. |