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3EIY

Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound pyrophosphate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2008-09-04
DetectorRIGAKU SATURN 944
Wavelength(s)1.5418
Spacegroup nameP 63 2 2
Unit cell lengths100.952, 100.952, 111.233
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 2.100
R-factor0.213
Rwork0.211
R-free0.24900
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.015
RMSD bond angle1.460
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.4.0067)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.180
High resolution limit [Å]2.1002.100
Rmerge0.1030.669
Number of reflections19792
<I/σ(I)>8.9
Completeness [%]98.798.5
Redundancy3.62.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.3289100 MM NA/K PHOSPHATE, PH 6.3, 49.5% PEG 200. CRYSTAL 3 MONTHS OLD., pH 6.30, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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