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3L8X

P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor

Replaces:  3CG2
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X25
Synchrotron siteNSLS
BeamlineX25
Temperature [K]100
Detector technologyCCD
Collection date2002-06-14
DetectorADSC QUANTUM 315
Spacegroup nameP 21 21 21
Unit cell lengths67.392, 71.148, 73.120
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution32.520 - 2.400
Rwork0.225
R-free0.31910
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.220
Data reduction softwareHKL-2000 ((DENZO))
Data scaling softwareHKL-2000 ((SCALEPACK))
Refinement softwareBUSTER (2.9.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.490
High resolution limit [Å]2.4002.400
Rmerge0.0970.232
Number of reflections13887
<I/σ(I)>18.66.6
Completeness [%]97.988.5
Redundancy7.26.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
161-6% (W/V) PEG-4K 50 MM MES, PH 6.0, 5 MM MAGNESIUM SULFATE

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