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2IK6

Yeast inorganic pyrophosphatase variant D120E with magnesium and phosphate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2001-03-15
DetectorRIGAKU
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths51.654, 93.191, 69.379
Unit cell angles90.00, 99.62, 90.00
Refinement procedure
Resolution19.610 - 1.800
R-factor0.16841
Rwork0.167
R-free0.20280
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1huk
RMSD bond length0.015
RMSD bond angle1.470
Data reduction softwareDENZO
Data scaling softwareCCP4 ((SCALA))
Phasing softwareMOLREP
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.0001.850
High resolution limit [Å]1.8001.800
Rmerge0.0590.388
Number of reflections59922
<I/σ(I)>9.51.9
Completeness [%]99.999.9
Redundancy4.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION627716% MPD, 10 MM MGCL2, 1 MM PO4-, PH 6.0, VAPOR DIFFUSION, TEMPERATURE 277K, pH 6.00

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