7U69
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
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 | 2020-02-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 80.389, 80.389, 247.514 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 69.680 - 2.500 |
R-factor | 0.1846 |
Rwork | 0.181 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5td7 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.972 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.680 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.108 | 0.726 |
Rpim | 0.091 | 0.584 |
Number of reflections | 31956 | 3211 |
<I/σ(I)> | 7.2 | 2 |
Completeness [%] | 97.5 | |
Redundancy | 3.4 | |
CC(1/2) | 0.992 | 0.594 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10 mg/mL HDAC10, 2 mM inhibitor, 1:1000 trypsin:HDAC10, 0.1 M Sodium Phosphate Monobasic, 0.1 M Sodium Phosphate Dibasic, and 20% PEG 3350. Microseed crystals of HDAC10-Tubastatin were also added to the drop |