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1XW7

Diabetes-Associated Mutations in Human Insulin: Crystal Structure and Photo-Cross-Linking Studies of A-Chain Variant Insulin Wakayama

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER
Temperature [K]100
Detector technologyCCD
Collection date2004-07-23
DetectorBRUKER
Spacegroup nameP 21 3
Unit cell lengths70.852, 70.852, 70.852
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.100 - 2.300
R-factor0.205
Rwork0.205
R-free0.26900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1zeg
RMSD bond length0.007
RMSD bond angle1.200
Data reduction softwarePROTEUM PLUS
Data scaling softwarePROTEUM PLUS
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.1002.440
High resolution limit [Å]2.3002.300
Rmerge0.0650.066
Number of reflections5346
<I/σ(I)>9.79.6
Completeness [%]97.795.2
Redundancy12.99.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.2290Tris, sodium citrate, acetone, phenol, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K, pH 6.20

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