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2ONQ

Gbeta1 stabilization by in vitro evolution and computational design

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]110
Detector technologyIMAGE PLATE
Collection date2005-10-04
DetectorMAR scanner 300 mm plate
Wavelength(s)1.5418
Spacegroup nameH 3 2
Unit cell lengths48.412, 48.412, 107.332
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution19.000 - 1.700
R-factor0.206
Rwork0.205
R-free0.22900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1pga
RMSD bond length0.021
RMSD bond angle1.819
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareAMoRE
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]39.0501.760
High resolution limit [Å]1.7001.700
Rmerge0.0300.220
Number of reflections5583
<I/σ(I)>27.47.1
Completeness [%]99.4100
Redundancy5.64.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5293.1550mM sodium acetate, 20mg/ml protein solution mixed in equal volume of crystallization buffer containing 33% PEG monomethylether, 0.1M calcium chloride, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K

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