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2IW8

STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A F82H-L83V-H84D MUTANT WITH AN O6-CYCLOHEXYLMETHYLGUANINE INHIBITOR

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2002-11-21
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths73.894, 135.324, 148.323
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution100.000 - 2.300
R-factor0.214
Rwork0.212
R-free0.25500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1h1s
RMSD bond length0.012
RMSD bond angle1.409
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]65.9002.410
High resolution limit [Å]2.3002.300
Rmerge0.1300.320
Number of reflections64531
<I/σ(I)>3.62.3
Completeness [%]97.194.4
Redundancy2.62.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17DROPLET CONTAINED PROTEIN AT A CONCENTRATION OF 10 MG ML-1 IN 40 MM HEPES PH 7.0 CONTAINING 1 MM DTT, 200 MM NACL, 5% V/V DMSO AND 1MM INHIBITOR. THE RESERVOIR SOLUTION CONTAINED 0.8 M KCL AND 1.2 M (NH4)2SO4 IN 40 MM HEPES PH 7.0 AND 5 MM DTT.

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