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1TWL

Inorganic pyrophosphatase from Pyrococcus furiosus Pfu-264096-001

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyCCD
Collection date2004-06-03
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.000
Spacegroup nameH 3 2
Unit cell lengths113.434, 113.434, 73.313
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution29.361 - 2.201
R-factor0.19657
Rwork0.194
R-free0.25740
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ude
RMSD bond length0.016
RMSD bond angle1.311
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareEPMR
Refinement softwareREFMAC (refmac_5.2.0003)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0002.280
High resolution limit [Å]2.2004.7302.200
Rmerge0.0820.0520.381
Number of reflections9314
Completeness [%]100.010099.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18.62911.5M K2HPO4, 0.1M TRIS-HCL, pH 8.6, modified microbatch, temperature 291K

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