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1H0W

Human cyclin dependent protein kinase 2 in complex with the inhibitor 2-Amino-6-[cyclohex-3-enyl]methoxypurine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsELETTRA BEAMLINE 5.2R
Synchrotron siteELETTRA
Beamline5.2R
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1997-11-07
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths53.422, 72.264, 72.375
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.100
R-factor0.214
Rwork0.210
R-free0.28700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1e1v
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCCP4
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.150
High resolution limit [Å]2.1002.100
Rmerge0.110
Number of reflections14443
<I/σ(I)>10.11.9
Completeness [%]90.181.1
Redundancy3.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.4PROTEIN AT 10MG/ML IN 15MM NACL, 10MM HEPES, PH7.4, MIXED WITH WELL BUFFER (50MM AMMONIUM ACETATE, 10% PEG4K, 0.1M HEPES PH 7.4) IN EQUAL VOLUMES, THEN VAPOUR DIFFUSION AGAINST WELL BUFFER. CDK2 CRYSTALS WERE SOAKED FOR 20 HOURS IN A SOLUTION OF 0.5MM NU2058 IN 1X WELL BUFFER PREPARED FROM STOCKS 2X WELLBUFFER AND 10MM NU2058 IN 100% DMSO.

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