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4FKP

Crystal structure of the cdk2 in complex with oxindole inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-F
Synchrotron siteAPS
Beamline21-ID-F
Temperature [K]100
Detector technologyCCD
Collection date2009-11-20
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.97872
Spacegroup nameP 21 21 21
Unit cell lengths53.290, 71.260, 72.000
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution31.930 - 1.600
R-factor0.185
Rwork0.184
R-free0.19800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2r3i
RMSD bond length0.010
RMSD bond angle1.050
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareBUSTER (2.8.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.630
High resolution limit [Å]1.6001.600
Rmerge0.0690.310
Number of reflections36942
<I/σ(I)>10.6
Completeness [%]99.9100
Redundancy7.27.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.8293.1515-20% PEG3350, 0.2M AMMONIUM ACETATE, 0.1M HEPES, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K, VAPOR DIFFUSION, SITTING DROP, pH 7.8

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