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4DZN

A de novo designed Coiled Coil CC-pIL

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyCCD
Collection date2010-10-10
DetectorADSC QUANTUM 315
Wavelength(s)1.7
Spacegroup nameP 21 21 21
Unit cell lengths24.723, 40.943, 87.430
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.720 - 1.590
R-factor0.15714
Rwork0.155
R-free0.19844
Structure solution methodAB INITIO PHASING+MOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle1.115
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareACORN
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.7201.700
High resolution limit [Å]1.5901.600
Number of reflections11991
Completeness [%]96.195.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52910.2 M NH4H2PO4, 0.1 M Tris, 50% v/v MPD, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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