8G1Z
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with inhibitor Mz317
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 | 2022-02-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.657, 48.390, 74.521 |
Unit cell angles | 90.00, 106.18, 90.00 |
Refinement procedure
Resolution | 71.569 - 1.870 |
R-factor | 0.2083 |
Rwork | 0.205 |
R-free | 0.25460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.804 |
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] | 71.570 | 1.910 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.280 | 1.308 |
Rpim | 0.237 | 1.164 |
Number of reflections | 31171 | 1813 |
<I/σ(I)> | 7.6 | 1.1 |
Completeness [%] | 98.3 | 91.1 |
Redundancy | 3.7 | |
CC(1/2) | 0.974 | 0.389 |
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), 0.2 M NDSB-211 |