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4PRY

Caspase-8 specific unnatural amino acid peptides

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-B
Synchrotron siteAPS
Beamline23-ID-B
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2013-10-24
DetectorMAR scanner 300 mm plate
Wavelength(s)0.88560
Spacegroup nameI 2 2 2
Unit cell lengths69.041, 84.433, 96.127
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution26.724 - 1.700
R-factor0.1566
Rwork0.155
R-free0.18680
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4jje
RMSD bond length0.014
RMSD bond angle1.388
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASES
Refinement softwarePHENIX ((phenix.refine: 1.8.4_1496))
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]1.700
Number of reflections30938
Completeness [%]100.0
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.52950.1 M Sodium citrate, pH 5.5, 12% PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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