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1Z6J

Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]110
Detector technologyCCD
Collection date2002-10-23
DetectorMARRESEARCH
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths69.652, 81.137, 125.577
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.000
R-factor0.22
Rwork0.209
R-free0.25800
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.009
RMSD bond angle1.670
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR
Refinement softwareX-PLOR (98.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0960.380
Number of reflections46245
<I/σ(I)>8.22.3
Completeness [%]97.294.3
Redundancy3.72.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.529850 mM citrate, 16-24% PEG 4K, 150 mM MgCl2, pH 7.5, VAPOR DIFFUSION, temperature 298K

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