6UO3
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) complexed with AR-42
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.750, 61.060, 121.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.093 - 1.090 |
R-factor | 0.183501780697 |
Rwork | 0.183 |
R-free | 0.18960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eef |
RMSD bond length | 0.006 |
RMSD bond angle | 0.895 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.093 | 1.120 |
High resolution limit [Å] | 1.090 | 1.090 |
Rmerge | 0.140 | 0.995 |
Rpim | 0.062 | 0.445 |
Number of reflections | 169488 | 16796 |
<I/σ(I)> | 7.2 | 2 |
Completeness [%] | 99.7 | |
Redundancy | 6 | |
CC(1/2) | 0.986 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10 mg/ml HDAC6 CD1 2 mM Inhibitor 0.2 M ammonium tartrate dibasic (pH 7.0) 20% PEG 3350 1:1 ratio protein to precipitant |