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1M38

Structure of Inorganic Pyrophosphatase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineX11
Temperature [K]298
Detector technologyIMAGE PLATE
Wavelength(s)0.91
Spacegroup nameP 1 21 1
Unit cell lengths51.690, 93.230, 69.840
Unit cell angles90.00, 99.74, 90.00
Refinement procedure
Resolution17.590 - 1.800
R-factor0.1932
Rwork0.193
R-free0.24100
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.017
RMSD bond angle2.561
Data reduction softwareDENZO
Data scaling softwareCCP4 ((TRUNCATE))
Phasing softwareBLANC
Refinement softwareREFMAC
Data quality characteristics
 Overall
Low resolution limit [Å]17.600
High resolution limit [Å]1.770
Rmerge0.037
Number of reflections63474
Completeness [%]99.9
Redundancy4.65
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.5298mes-buffer, cobalt chloride, imidodiphosphate, 2-methyl-2,4-pentadiole, pH 6.5, VAPOR DIFFUSION, temperature 298.0K

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