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3LLA

Crystal Structure of the Alpha-kinase Domain of Myosin Heavy Chain Kinase A Complex with AMPPCP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F1
Synchrotron siteCHESS
BeamlineF1
Temperature [K]100
Detector technologyCCD
Collection date2007-11-22
DetectorADSC QUANTUM 270
Wavelength(s)0.918
Spacegroup nameP 21 21 2
Unit cell lengths83.075, 109.808, 79.626
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution23.900 - 2.110
R-factor0.21528
Rwork0.213
R-free0.26275
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3lkm
RMSD bond length0.011
RMSD bond angle1.440
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.180
High resolution limit [Å]2.1102.110
Rmerge0.0880.405
Number of reflections42537
<I/σ(I)>37.695.1
Completeness [%]99.999.7
Redundancy9.77.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP827718% PEG 8000, 0.2M sodium phosphate, 0.1M Tris-HCl , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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