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2A4R

HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]95
Detector technologyIMAGE PLATE
Collection date1999-04-08
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameH 3 2
Unit cell lengths223.603, 223.603, 75.354
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution8.000 - 2.400
Rwork0.201
R-free0.27100
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.009
RMSD bond angle1.810
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR
Refinement softwareX-PLOR (98.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.0002.490
High resolution limit [Å]2.4002.400
Rmerge0.0470.489
Number of reflections28197
<I/σ(I)>23.324
Completeness [%]99.298.8
Redundancy3.53.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.7273MES, sodium potassium phosphate, sodium chloride, 2-mercaptoethanol, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 273K

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