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2Q5A

human Pin1 bound to L-PEPTIDE

Replaces:  2ITI
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.2
Synchrotron siteALS
Beamline8.2.2
Temperature [K]100
Detector technologyCCD
Collection date2005-03-25
DetectorADSC QUANTUM 315
Wavelength(s)1.0
Spacegroup nameP 31 2 1
Unit cell lengths68.842, 68.842, 79.513
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution33.000 - 1.500
R-factor0.23334
Rwork0.232
R-free0.25235
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.383
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]33.0001.550
High resolution limit [Å]1.5001.500
Number of reflections34360
<I/σ(I)>44.66.9
Completeness [%]96.396.6
Redundancy3.63.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5277M Ammonium Sulfate, 1% PEG400, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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