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2J38

CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSRS BEAMLINE PX9.6
Synchrotron siteSRS
BeamlinePX9.6
Temperature [K]100
Detector technologyCCD
Collection date2001-02-08
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths56.794, 72.731, 79.895
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.100
R-factor0.215
Rwork0.211
R-free0.30200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB 1EZQ
RMSD bond length0.016
RMSD bond angle1.697
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareREFMAC (5.3.0006)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.180
High resolution limit [Å]2.1002.100
Rmerge0.0700.290
Number of reflections18209
Completeness [%]94.1
Redundancy3.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.8516% PEG6K, 50MM MES PH5.85, 5MM CACL2, 50MM NACL

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