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1BQJ

CRYSTAL STRUCTURE OF D(ACCCT)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]103.15
Detector technologyIMAGE PLATE
Collection date1997-11-01
DetectorRIGAKU RAXIS IIC
Spacegroup nameI 2 3
Unit cell lengths93.810, 93.810, 93.810
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.000 - 2.200
R-factor0.192
Rwork0.192
R-free0.23500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)191d
RMSD bond length0.004
RMSD bond angle23.600

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0002.300
High resolution limit [Å]2.2002.200
Rmerge0.035
Number of reflections7136
Completeness [%]98.596.3
Redundancy4.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

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Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein5 (mM)
21drop2-propanol5 (%(v/v))
31dropethanol10 (%(v/v))
41dropammonium sulfate0.5 (M)
51drop150 (mM)
61drop5 (mM)
71dropspermine2 (mM)

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