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1O5C

Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]285
Detector technologyIMAGE PLATE
Collection date2002-02-01
DetectorRIGAKU RAXIS IV++
Spacegroup nameC 1 2 1
Unit cell lengths81.710, 50.280, 66.200
Unit cell angles90.00, 113.04, 90.00
Refinement procedure
Resolution7.000 - 1.630
R-factor0.193
Rwork0.191
R-free0.21900
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.017
RMSD bond angle4.000
Data reduction softwareCrystalClear (1.3)
Data scaling softwareCrystalClear ((MSC/RIGAKU))
Refinement softwareX-PLOR (3.851)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.8001.700
High resolution limit [Å]1.6301.630
Rmerge0.0730.400
Number of reflections30503
<I/σ(I)>8
Completeness [%]98.3
Redundancy2.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.52982-propanol, PEG 4000, pH 6.5, vapor diffusion at 298 K, pH 6.5, pH 6.50

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