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3KQ6

Enhancing the Therapeutic Properties of a Protein by a Designed Zinc-Binding Site, Structural principles of a novel long-acting insulin analog

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 4.2.2
Synchrotron siteALS
Beamline4.2.2
Temperature [K]100
Detector technologyCCD
Collection date2005-11-04
DetectorNOIR-1
Wavelength(s)1.0000,1.2398
Spacegroup nameH 3
Unit cell lengths78.091, 78.091, 36.399
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution32.050 - 1.900
Rwork0.199
R-free0.25700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1rwe
RMSD bond angle0.008
Data reduction softwared*TREK
Data scaling softwared*TREK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]32.0501.970
High resolution limit [Å]1.9001.900
Rmerge0.0570.422
Number of reflections6488
<I/σ(I)>14.13
Completeness [%]99.5100
Redundancy5.495.43
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION82980.02 M Tris, 0.05 M sodium citrate, 5% acetone, 0.03% phenol, 0.01% zinc acetate, pH 8.0, VAPOR DIFFUSION, temperature 298K

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