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2ZR6

Crystal structure of a mutant PIN1 peptidyl-prolyl cis-trans isomerase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]298
Detector technologyIMAGE PLATE
Collection date2006-11-02
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.54178
Spacegroup nameP 31 2 1
Unit cell lengths67.980, 67.980, 79.434
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution25.000 - 3.200
R-factor0.229
Rwork0.229
R-free0.31600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1pin
RMSD bond length0.007
RMSD bond angle1.420
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareCNS
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]3.200
Number of reflections3584
<I/σ(I)>15.8
Completeness [%]96.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52782.5M ammonium sulfate, 100mM HEPES-NA(pH7.5), 2% PEG400, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 278K

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