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2IW6

STRUCTURE OF HUMAN THR160-PHOSPHO CDK2-CYCLIN A COMPLEXED WITH A BISANILINOPYRIMIDINE INHIBITOR

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-3
Synchrotron siteESRF
BeamlineID14-3
Temperature [K]100
Detector technologyCCD
Collection date2003-08-31
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths73.777, 134.557, 148.265
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution100.000 - 2.300
R-factor0.231
Rwork0.228
R-free0.28700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1h1s
RMSD bond length0.018
RMSD bond angle1.713
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.2002.410
High resolution limit [Å]2.3002.300
Rmerge0.1000.440
Number of reflections61358
<I/σ(I)>5.51.4
Completeness [%]93.887
Redundancy3.72.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17THE DROPLET 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 SATURATED 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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