6UOB
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Resminostat
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 | 2019-07-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.270, 102.620, 112.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.450 - 1.580 |
R-factor | 0.185207062797 |
Rwork | 0.184 |
R-free | 0.20774 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eef |
RMSD bond length | 0.006 |
RMSD bond angle | 0.875 |
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] | 56.450 | 1.630 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.145 | 2.032 |
Rpim | 0.062 | 0.880 |
Number of reflections | 106861 | 10560 |
<I/σ(I)> | 9.8 | 1.9 |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 6.5 | 6.2 |
CC(1/2) | 0.997 | 0.502 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10 mg/ml HDAC6 CD1 2 mM Inhibitor 0.1 M ammonium citrate tribasic (pH 7.0) 12% PEG 3350 1:1 ratio protein to precipitant |