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1WDS

The role of an inner loop in the catalytic mechanism of soybean beta-amylase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsMACSCIENCE
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date2003-09-03
DetectorMACSCIENCE
Wavelength(s)1.5418
Spacegroup nameP 31 2 1
Unit cell lengths84.615, 84.615, 143.109
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution10.000 - 1.640
R-factor0.171
Rwork0.171
R-free0.20000
Structure solution methodrigid body refinement
RMSD bond length0.005
RMSD bond angle1.300
Data reduction softwareSCALE
Data scaling softwareSCALEPACK
Phasing softwareCNS (1.1)
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]99.0001.432
High resolution limit [Å]1.3801.383
Number of reflections114150
Completeness [%]94.073.25
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.4277ammonium sulfate, sodium acetate, 2-mercaptoethanol, EDTA, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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