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2D2D

Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2

Replaces:  1WNQ
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2003-12-02
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths50.703, 94.737, 66.204
Unit cell angles90.00, 103.04, 90.00
Refinement procedure
Resolution30.000 - 2.700
R-factor0.211
Rwork0.209
R-free0.28200
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.520
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.800
High resolution limit [Å]2.7002.700
Number of reflections16799
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6291PEG 6000, MES, DMSO, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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