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3E92

Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH2R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2002-01-21
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths45.516, 86.224, 124.191
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.000
R-factor0.174
Rwork0.172
R-free0.21600
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1wfc
RMSD bond length0.016
RMSD bond angle1.547
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareREFMAC (5.1.05)
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0590.554
Number of reflections29459
<I/σ(I)>18.41.9
Completeness [%]87.169.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.529318-22% PEG 5000MME, 0.18M ammonium sulphate, 3-4% jeffamine, 0.1M ADA, pH 6.5, VAPOR DIFFUSION, temperature 293K

222036

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