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7CBA

Crystal structure of snake venom phosphodiesterase (PDE) from Taiwan cobra (Naja atra atra) in complex with isorhamnetin and citrate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL15A1
Synchrotron siteNSRRC
BeamlineBL15A1
Temperature [K]200
Detector technologyCCD
Collection date2019-04-25
DetectorRAYONIX MX300-HS
Wavelength(s)0.99984
Spacegroup nameP 1 21 1
Unit cell lengths66.186, 168.619, 93.715
Unit cell angles90.00, 105.93, 90.00
Refinement procedure
Resolution28.296 - 2.901
R-factor0.1903
Rwork0.187
R-free0.24240
Structure solution methodMIR
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX (1.14-3260)
Refinement softwarePHENIX (1.14_3260)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0003.000
High resolution limit [Å]2.9006.2302.900
Rmerge0.0960.0270.465
Rmeas0.1120.0320.564
Rpim0.0590.0170.314
Total number of observations153134
Number of reflections4271543433804
<I/σ(I)>7.4
Completeness [%]97.898.187.2
Redundancy3.63.52.9
CC(1/2)0.9970.776
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29320% PEG 3350, 0.2M Ammonium citrate tribasic

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