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5VF5

Crystal structure of the vicilin from Solanum melongena, re-refinement

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]100
Detector technologyCCD
Collection date2011-11-20
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.95372
Spacegroup nameH 3 2
Unit cell lengths119.330, 119.330, 158.190
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution22.710 - 1.490
R-factor0.13215
Rwork0.131
R-free0.16263
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5cad
RMSD bond length0.014
RMSD bond angle1.686
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]22.7101.570
High resolution limit [Å]1.4901.490
Rmerge0.0610.476
Number of reflections70495
<I/σ(I)>20.54.3
Completeness [%]99.9100
Redundancy11.810.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP829850mM Tris-Cl, 1.5 M Sodium malonate, 10% Peg 3350

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