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2H5K

Crystal Structure of Complex Between the Domain-Swapped Dimeric Grb2 SH2 Domain and Shc-Derived Ligand, Ac-NH-pTyr-Val-Asn-NH2

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2004-01-01
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 62 2 2
Unit cell lengths94.859, 94.859, 139.236
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 3.250
Rwork0.247
R-free0.29970
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.481
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0003.370
High resolution limit [Å]3.2503.250
Rmerge0.1560.409
Number of reflections6291
<I/σ(I)>8.5
Completeness [%]99.098.9
Redundancy6.97.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6277Protein-ligand solution in 25 mM sodium cacodylate, pH 6.0 mixed with equal volume of 0.1 M sodium cacodylate, 0.1 M calcium acetate, 18% PEG 8000, pH 6.0., VAPOR DIFFUSION, HANGING DROP, temperature 277K

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