6MR5
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with a mercaptoacetamide-based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97917 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 159.010, 46.460, 96.400 |
Unit cell angles | 90.00, 119.19, 90.00 |
Refinement procedure
Resolution | 47.762 - 1.850 |
R-factor | 0.1916 |
Rwork | 0.190 |
R-free | 0.22590 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.663 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 84.160 | 84.160 | 1.890 |
High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
Rmerge | 0.100 | 0.048 | 0.692 |
Total number of observations | 168669 | ||
Number of reflections | 52293 | 504 | 3225 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 98.9 | 99.8 | 99.6 |
Redundancy | 3.2 | 3 | 3.3 |
CC(1/2) | 0.991 | 0.992 | 0.642 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.04 M citrate / 0.06 M Bis-Tris propane (pH 6.4) 20% Peg 3,350 |