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4FKV

Crystal structure of the cdk2 in complex with oxindole inhibitor

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]100
Detector technologyCCD
Collection date2010-07-07
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97856
Spacegroup nameP 21 21 21
Unit cell lengths53.657, 71.914, 72.096
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution32.180 - 1.700
R-factor0.177
Rwork0.176
R-free0.20300
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle0.980
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.730
High resolution limit [Å]1.7001.700
Rmerge0.0470.434
Number of reflections31365
<I/σ(I)>11.2
Completeness [%]99.899.7
Redundancy7.26.7
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, pH 7.8

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