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1N61

Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Dithionite reduced state

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron siteMPG/DESY, HAMBURG
BeamlineBW6
Wavelength(s)1.06
Spacegroup nameP 21 21 21
Unit cell lengths119.162, 131.375, 160.318
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution17.000 - 1.300
R-factor0.145
Rwork0.142
R-free0.18000

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Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.019

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RMSD bond angle1.747

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]17.0001.320
High resolution limit [Å]1.280

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1.280
Rmerge0.066

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Total number of observations2011470

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Number of reflections632876
Completeness [%]98.997.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion

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7.3281Dobbek, H., (1999) Proc.Natl.Acad.Sci.USA, 96, 8884.

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
1110.8 (M)
2110.8 (M)
311MPD2 (%)
411HEPES100 (mM)pH7.3

239149

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