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3DJ7

Crystal structure of the mouse Aurora-A catalytic domain (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with Compound 130.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]160
Detector technologyIMAGE PLATE
Collection date2008-05-12
DetectorRIGAKU RAXIS IV
Wavelength(s)1.54
Spacegroup nameP 61 2 2
Unit cell lengths82.750, 82.750, 169.728
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution22.830 - 2.800
R-factor0.26872
Rwork0.266
R-free0.29553
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3d14
RMSD bond length0.006
RMSD bond angle0.963
Data reduction softwareCrystalClear
Data scaling softwared*TREK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.860
High resolution limit [Å]2.8002.800
Rmerge0.0510.314
Number of reflections8957
<I/σ(I)>19.35.8
Completeness [%]99.299.9
Redundancy7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.9293Protein at 8.5 mg/ml in 50 mM Tris pH 7.0, 200 mM NaCl, 3 mM DTT; hanging-drop vapor diffusion; mother liquor: 1.0 M sodium phosphate monobasic monohydrate, potassium phosphate dibasic pH 6.9; temperature: 293K; cryoprotectant: tacsimate; crystal frozen by immersion in liquid nitrogen.

223790

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