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1IWQ

Crystal Structure of MARCKS calmodulin binding domain peptide complexed with Ca2+/Calmodulin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL45PX
Synchrotron siteSPring-8
BeamlineBL45PX
Temperature [K]90
Detector technologyIMAGE PLATE
Collection date2000-05-19
DetectorRIGAKU RAXIS V
Wavelength(s)1.02
Spacegroup nameP 61 2 2
Unit cell lengths40.229, 40.229, 343.468
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 2.000
R-factor0.22513
Rwork0.223
R-free0.26900

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1qiv
RMSD bond length0.021

*

RMSD bond angle1.500

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]200.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0790.270
Total number of observations91390

*

Number of reflections11956
<I/σ(I)>14.2
Completeness [%]95.998
Redundancy7.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5295PEG 6000, sodium acetate, calcium chrolide, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirPEG600030 (%(w/v))
21reservoir5 (mM)
31reservoirsodium acetate100 (mM)pH6.5

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