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5USP

Insulin with proline analog Pip at position B28 in the T2 state

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL12-2
Synchrotron siteSSRL
BeamlineBL12-2
Temperature [K]100
Detector technologyPIXEL
Collection date2016-07-23
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9795
Spacegroup nameI 21 3
Unit cell lengths78.047, 78.047, 78.047
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.020 - 1.174
R-factor0.1391
Rwork0.139
R-free0.15260
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3t2a
RMSD bond length0.008
RMSD bond angle1.070
Data reduction softwareXDS
Data scaling softwareAimless (0.3.11)
Phasing softwarePHASER
Refinement softwarePHENIX
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]39.02039.0201.190
High resolution limit [Å]1.1706.4301.170
Rmerge0.0630.0560.756
Rmeas0.0660.0590.835
Rpim0.0200.0190.342
Number of reflections264871198
<I/σ(I)>17.82
Completeness [%]99.799.693.3
Redundancy1010.55.4
CC(1/2)0.9980.9940.669
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8293275mM Sodium Citrate, 100mM Hepes pH 8.0

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