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1ISF

Crystal Structure Analysis of BST-1/CD157

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-6B
Synchrotron sitePhoton Factory
BeamlineBL-6B
Temperature [K]100
Detector technologyDIFFRACTOMETER
Collection date1998-12-02
DetectorWEISSENBERG
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths58.721, 112.612, 130.086
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.000 - 2.500
Rwork0.213
R-free0.25000
Structure solution methodMIR
RMSD bond length0.006
RMSD bond angle1.254
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSHARP
Refinement softwareCNS (0.9)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.0002.590
High resolution limit [Å]2.5002.500
Rmerge0.0410.234
Number of reflections28172
<I/σ(I)>4.6723.3
Completeness [%]91.473.8
Redundancy36.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5293ammonium sulphate, zinc sulphate, citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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