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7CWG

Crystal structure of PDE8A catalytic domain in complex with 3a

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOXFORD DIFFRACTION NOVA
Temperature [K]100
Detector technologyCCD
Collection date2020-08-12
DetectorOXFORD ONYX CCD
Wavelength(s)1.5406
Spacegroup nameC 2 2 21
Unit cell lengths75.797, 131.832, 101.335
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution22.350 - 2.800
R-factor0.27693
Rwork0.275
R-free0.31747
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ecm
RMSD bond length0.007
RMSD bond angle0.987
Data reduction softwareCrysalisPro (38.41)
Data scaling softwareCrysalisPro (38.41)
Phasing softwarePHASER (6.5.0)
Refinement softwareREFMAC (6.5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.3503.040
High resolution limit [Å]2.8002.800
Rmerge0.1570.224
Number of reflections202102021
<I/σ(I)>18.710.85
Completeness [%]99.8100
Redundancy9.310.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP277100mM Cacodylate Sodium pH 6.5, 15% Isopropanol, 30% Ethylene Glycol, 11% PEG3350

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