8G20
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz327
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 |
Unit cell lengths | 48.244, 55.544, 74.399 |
Unit cell angles | 73.00, 89.90, 82.82 |
Refinement procedure
Resolution | 29.047 - 1.766 |
R-factor | 0.1942 |
Rwork | 0.193 |
R-free | 0.23050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.028 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.050 | 1.810 |
High resolution limit [Å] | 1.766 | 1.776 |
Rmerge | 0.131 | 0.552 |
Rpim | 0.352 | |
Number of reflections | 69137 | 6517 |
<I/σ(I)> | 5.4 | 1.5 |
Completeness [%] | 96.1 | 89.2 |
Redundancy | 2.7 | 2.6 |
CC(1/2) | 0.986 | 0.649 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 286 | 0.1 M bis-Tris (pH 6.0), 0.2 M KSCN, 20% PEG 3350 (w/v), 3% (v/v) ethanol |