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4PS0

Caspase-8 specific unnatural amino acid peptides

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyPIXEL
Collection date2014-02-03
DetectorPSI PILATUS 6M
Wavelength(s)0.97945
Spacegroup nameP 1 21 1
Unit cell lengths50.198, 69.189, 93.143
Unit cell angles90.00, 102.01, 90.00
Refinement procedure
Resolution40.042 - 1.630
R-factor0.1543
Rwork0.153
R-free0.17920
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)477E
RMSD bond length0.016
RMSD bond angle1.553
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSOLVE
Refinement softwarePHENIX ((phenix.refine: 1.8.4_1496))
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]1.630
Number of reflections76222
Completeness [%]98.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.52950.15 M sodium citrate, pH 5.5, 14% PEG 6000, 0.3% sodium azide, 0.01 M DTT, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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