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1G7B

1.3 A STRUCTURE OF T3R3 HUMAN INSULIN AT 100 K

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X8C
Synchrotron siteNSLS
BeamlineX8C
Temperature [K]100
Detector technologyCCD
Collection date1999-03-20
DetectorADSC QUANTUM 4
Wavelength(s)0.8000
Spacegroup nameH 3
Unit cell lengths80.050, 80.050, 71.459
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution31.800 - 1.300
R-factor0.176

*

Rwork0.176
R-free0.20400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1trz
RMSD bond length0.010
RMSD bond angle20.400

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]31.8001.330
High resolution limit [Å]1.3001.300
Rmerge0.0600.393
Total number of observations912730

*

Number of reflections41901
<I/σ(I)>48.88.6
Completeness [%]100.0100
Redundancy12.57.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1microgravity

*

6.32985 mg/ml human insulin, 0.01 M HCl, 0.007 M zinc acetate, 0.05 M sodium citrate, 17% acetone, 1.0 M NaCl. pH 6.3, SLOW COOLING at 298K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
111insulin5 (mg/ml)
2110.01 (M)
311zinc acetate0.007 (M)
411sodium citrate0.05 (M)
511acetone17 (%)
6111.0 (M)

218853

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