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4K76

CFTR Associated Ligand (CAL) PDZ domain bound to peptide iCAL36-TRL (ANSRWPTTRL)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X6A
Synchrotron siteNSLS
BeamlineX6A
Temperature [K]100
Detector technologyCCD
Collection date2011-10-27
DetectorADSC QUANTUM 270
Wavelength(s)0.8856
Spacegroup nameP 1
Unit cell lengths32.762, 50.169, 55.183
Unit cell angles68.81, 75.79, 87.93
Refinement procedure
Resolution19.262 - 1.750
R-factor0.1747
Rwork0.172
R-free0.22060
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4E34 (CAL PDZ bound to iCAL36 peptide)
RMSD bond length0.006
RMSD bond angle1.066
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHENIX
Refinement softwarePHENIX ((phenix.refine: 1.7_650))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]19.2623.5501.790
High resolution limit [Å]1.7502.9301.750
Number of reflections30591
<I/σ(I)>16.732.992.95
Completeness [%]95.495.594.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

227111

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