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2UWP

Factor Xa inhibitor complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2003-06-16
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths56.448, 71.963, 78.671
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.750
R-factor0.186
Rwork0.185
R-free0.21200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1ezq
RMSD bond length0.015
RMSD bond angle1.624
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Refinement softwareREFMAC (5.3.0006)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]29.0001.840
High resolution limit [Å]1.7501.750
Rmerge0.1000.480
Number of reflections36452
<I/σ(I)>4.41.8
Completeness [%]99.799.7
Redundancy3.83.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.7518% PEG6K, 50MM MES PH 5.75, 10MM CACL2, 150MM NACL

217705

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