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3IS5

Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-B
Synchrotron siteAPS
Beamline23-ID-B
Temperature [K]100
Detector technologyCCD
Collection date2009-06-20
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.96427
Spacegroup nameP 32
Unit cell lengths113.973, 113.973, 153.471
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution50.000 - 2.550
R-factor0.22
Rwork0.218
R-free0.25900
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3dxn
RMSD bond length0.007
RMSD bond angle1.120
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.490
High resolution limit [Å]2.4002.400
Rmerge0.0940.999
Number of reflections87222
<I/σ(I)>81.85
Completeness [%]100.0100
Redundancy5.85.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP9.52930.1 M Glycine pH 9.5, 13.6% PEG8000, 0.2 M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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