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2ESU

Crystal structure of Asn to Gln mutant of Winged Bean Chymotrypsin Inhibitor protein

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2005-09-15
DetectorMARRESEARCH
Spacegroup nameP 61 2 2
Unit cell lengths60.900, 60.900, 213.210
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution15.000 - 1.940
R-factor0.219
Rwork0.219
R-free0.23800
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.005
RMSD bond angle1.500
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 Overall
Low resolution limit [Å]15.000
High resolution limit [Å]1.940
Number of reflections18132
Completeness [%]99.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP829325.4% PEG 8000, 0.17M Ammonium Sulphate, 15% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

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