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2VAY

Calmodulin complexed with CaV1.1 IQ peptide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCAMD BEAMLINE GCPCC
Synchrotron siteCAMD
BeamlineGCPCC
Temperature [K]77
Detector technologyCCD
Collection date2006-04-04
DetectorMARRESEARCH
Spacegroup nameC 1 2 1
Unit cell lengths84.920, 34.670, 62.980
Unit cell angles90.00, 113.69, 90.00
Refinement procedure
Resolution19.770 - 1.940
R-factor0.218
Rwork0.218
R-free0.27200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2f3y
RMSD bond length0.009
RMSD bond angle1.300
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.940
High resolution limit [Å]1.8001.860
Rmerge0.0300.140
Number of reflections15915
<I/σ(I)>12.13.65
Completeness [%]89.974.9
Redundancy3.52.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.3HANGING DROP VAPOR DIFFUSION 1.5 UL 10 MG/ML COMPLEX IN 20 MM MOPS PH7.4, 150 MM NACL, 4 MM CACL2 MIX WITH 4.5 UL WELL SOLUTION, 32% PEG 3350, 50 MM TRIS PH 8.3, 50 MM MGCL2, 5 DAYS AT 20-22 DEGREES C

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