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3ACJ

Crystal structure of imidazo pyrimidine derivative bound to the kinase domain of human LCK, (Auto-phosphorylated on TYR394)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL32B2
Synchrotron siteSPring-8
BeamlineBL32B2
Temperature [K]93
Detector technologyCCD
Collection date2002-10-01
DetectorRIGAKU JUPITER 210
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths42.233, 73.671, 92.719
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution10.000 - 2.200
R-factor0.17512
Rwork0.167
R-free0.24710
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3lck
RMSD bond length0.014
RMSD bond angle1.356
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareREFMAC (5.5.0072)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]28.7502.320
High resolution limit [Å]2.2002.200
Rmerge0.1230.219
Number of reflections14715
<I/σ(I)>10.36
Completeness [%]96.798
Redundancy3.13.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52770.2M (NH4)2SO4, 0.1M SODIUM CACODYLATE, 30% PEG 8000, 0.2% MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

217705

건을2024-03-27부터공개중

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