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4CXL

Human insulin analogue (D-ProB8)-insulin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2012-12-16
DetectorDECTRIS PILATUS 2M
Spacegroup nameI 21 3
Unit cell lengths78.660, 78.660, 78.660
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.330 - 1.500
R-factor0.1683
Rwork0.167
R-free0.19713
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1mso
RMSD bond length0.033
RMSD bond angle2.784
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]39.3301.540
High resolution limit [Å]1.5001.500
Rmerge0.0500.660
Number of reflections13097
<I/σ(I)>31.85
Completeness [%]100.0100
Redundancy2020
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
180.1 M TRIS/HCL PH 8.0, 0.2 SODIUM CITRATE, 40% V/V MPD, PROTEIN CONCENTRATION 5MG/ML IN 20 MM HCL

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