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8BPY

X-RAY STRUCTURE OF PDE9A IN COMPLEX WITH Inhibitor 13A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.1
Synchrotron siteBESSY
Beamline14.1
Temperature [K]100
Detector technologyPIXEL
Collection date2015-06-26
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.918409
Spacegroup nameI 4 2 2
Unit cell lengths222.423, 222.423, 120.257
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.740 - 3.300
R-factor0.24974
Rwork0.246
R-free0.31232
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)inhouse structure
RMSD bond length0.013
RMSD bond angle1.563
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0123)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.490
High resolution limit [Å]3.3003.300
Number of reflections229823601
<I/σ(I)>12.1
Completeness [%]99.6
Redundancy8.8
CC(1/2)0.9980.739
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP27735% PP 5/4, 0.2 M KCl, 50 mM Hepes pH 7.25

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