6Q0Z
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 |
Unit cell lengths | 48.170, 55.340, 74.240 |
Unit cell angles | 73.04, 89.86, 83.01 |
Refinement procedure
Resolution | 37.800 - 1.750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eem |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.800 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.120 | 0.735 |
Rpim | 0.070 | 0.435 |
Number of reflections | 73413 | 5538 |
<I/σ(I)> | 8.5 | 1.9 |
Completeness [%] | 81.7 | 78.4 |
Redundancy | 3.8 | 3.8 |
CC(1/2) | 0.995 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10 mg/mL zCD2 protein, 2.0 mM JS28 inhibitor, 0.2 M sodium citrate, 20% w/v PEG3350, 1:1 ratio of protein to precipitant |