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8D9A

Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 8

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-E
Synchrotron siteAPS
Beamline24-ID-E
Temperature [K]100
Detector technologyPIXEL
Collection date2020-12-12
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.98
Spacegroup nameP 21 21 21
Unit cell lengths75.035, 92.044, 96.200
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution66.510 - 1.750
R-factor0.1844
Rwork0.183
R-free0.21720
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5eem
RMSD bond length0.007
RMSD bond angle0.899
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]96.2001.780
High resolution limit [Å]1.7501.750
Number of reflections44748721506
<I/σ(I)>17.8
Completeness [%]99.5
Redundancy6.6
CC(1/2)0.9990.902
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP28610mg/mL HDAC6 Protein, 0.09 M Bis-tris (pH 6.0), 0.18 M KSCN, 18% PEG 3350, 0.3% ethanol

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