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3INC

Crystal structure of human insulin with Ni+2 complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-09-11
DetectorMAR scanner 345 mm plate
Wavelength(s)1.54
Spacegroup nameH 3
Unit cell lengths81.654, 81.654, 33.767
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution30.470 - 1.850
R-factor0.20571
Rwork0.203
R-free0.25699
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1mso
RMSD bond length0.020
RMSD bond angle2.002
Data reduction softwareAUTOMAR
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.4701.890
High resolution limit [Å]1.8501.850
Rmerge0.0700.025
Number of reflections6787
<I/σ(I)>4.51.1
Completeness [%]99.497
Redundancy3.33.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.82980.2M Sodium Citrate, 0.12M Nickel Chloride, 1M Ammonium Sulphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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