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4OEW

Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors

Replaces:  3TSF
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2011-05-12
DetectorADSC QUANTUM 315r
Wavelength(s)0.979
Spacegroup nameP 31 2 1
Unit cell lengths74.120, 74.120, 131.800
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution32.095 - 2.440
R-factor0.2078
Rwork0.206
R-free0.25860
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.231
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER (2.1.4)
Refinement softwarePHENIX (1.8.2_1309)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]40.0005.9402.120
High resolution limit [Å]2.0004.2202.000
Rmerge0.0870.0170.017
Number of reflections1594920364399
<I/σ(I)>8.9928.960.69
Completeness [%]98.298.895.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.529319-20%(w/v)PEG 3350, 200mM MgSO4, 100mM Tris-HCl, pH 7.5, vapor diffusion, hanging drop, temperature 293K

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