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2AJC

Porcine dipeptidyl peptidase IV (CD26) in complex with 4-(2-Aminoethyl)-benzene sulphonyl fluoride (AEBSF)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron siteMPG/DESY, HAMBURG
BeamlineBW6
Temperature [K]100
Detector technologyCCD
Collection date2004-05-29
DetectorMARRESEARCH
Wavelength(s)1.05
Spacegroup nameP 1
Unit cell lengths62.350, 118.680, 133.680
Unit cell angles112.76, 95.16, 90.95
Refinement procedure
Resolution39.900 - 1.950
Rwork0.202
R-free0.23400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1orv
RMSD bond length0.012
RMSD bond angle1.600
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]40.00040.0001.970
High resolution limit [Å]1.9506.6601.950
Rmerge0.0350.0200.338
Number of reflections247685
Completeness [%]96.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP829320% PEG 2000, 0.1 M AMMONIUM SULFATE, 0.1 M TRIS/HCL PH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K

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