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5UCQ

The structure of archaeal Inorganic Pyrophosphatase in complex with pyrophosphate

Replaces:  3Q9M
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-BM
Synchrotron siteAPS
Beamline22-BM
Temperature [K]100
Detector technologyCCD
Collection date2008-04-22
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.00
Spacegroup nameP 32 2 1
Unit cell lengths100.161, 100.161, 97.801
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution43.370 - 1.400
R-factor0.11
Rwork0.109
R-free0.14000
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ude
RMSD bond length0.006
RMSD bond angle0.843
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX ((1.11.1_2575))
Refinement softwarePHENIX ((1.11.1_2575))
Data quality characteristics
 Overall
Low resolution limit [Å]44.500
High resolution limit [Å]1.270
Rmerge0.064
Number of reflections116219
<I/σ(I)>13.4
Completeness [%]96.3
Redundancy8.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5298Tris, MPD, Calcium Chloride, Sodium Pyrophosphate

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