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2C6O

Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RUH3R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2003-07-31
DetectorRIGAKU IMAGE PLATE
Spacegroup nameP 21 21 21
Unit cell lengths53.042, 71.760, 71.764
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.750 - 2.100
R-factor0.235
Rwork0.233
R-free0.28800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1b39
RMSD bond length0.028
RMSD bond angle2.454
Data reduction softwareCrystalClear
Data scaling softwared*TREK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.1.09)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0500.420
Number of reflections18445
<I/σ(I)>8.11.6
Completeness [%]88.665.3
Redundancy2.291.14
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.2PEG3350, HEPES PH7.2, AMMONIUM ACETATE, VAPOR DIFFUSION HANGING DROP, ROOM TEMPERATURE, pH 7.20

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