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1J0H

Crystal structure of Bacillus stearothermophilus neopullulanase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL40B2
Synchrotron siteSPring-8
BeamlineBL40B2
Temperature [K]100
Detector technologyCCD
Collection date1999-07-02
DetectorADSC QUANTUM 4
Wavelength(s)1.0
Spacegroup nameP 1 21 1
Unit cell lengths68.713, 72.762, 123.640
Unit cell angles90.00, 90.84, 90.00
Refinement procedure
Resolution10.000 - 1.900
Rwork0.163
R-free0.20300
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle1.300
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.0002.020
High resolution limit [Å]1.9001.900
Rmerge0.059

*

0.187

*

Total number of observations321350

*

Number of reflections90890

*

Completeness [%]94.271.1

*

Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.520

*

PEG 8000, sodium chloride, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirsodium cacodylate100 (mM)pH6.5
21reservoirPEG8000180 (mg/ml)
31reservoir300 (mM)
41dropsodium phosphate5 (mM)pH6.5
51drop2-mercaptoethanol10 (mM)
61dropenzyme10 (mg/ml)

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