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4JX7

Crystal structure of Pim1 kinase in complex with inhibitor 2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 6C1
Synchrotron sitePAL/PLS
Beamline6C1
Temperature [K]100
Detector technologyCCD
Collection date2010-01-13
DetectorADSC QUANTUM 210
Wavelength(s)1.2399
Spacegroup nameP 65
Unit cell lengths97.657, 97.657, 81.106
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 2.400
R-factor0.19296
Rwork0.191
R-free0.22819
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1xqz
RMSD bond length0.010
RMSD bond angle1.314
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.490
High resolution limit [Å]2.4002.400
Number of reflections16996
Completeness [%]98.399.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.52970.7 M sodium potassium tartrate, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K

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