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1XA5

Structure of Calmodulin in complex with KAR-2, a bis-indol alkaloid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineX11
Temperature [K]100
Detector technologyCCD
Collection date2003-02-24
DetectorMARRESEARCH
Wavelength(s)0.813
Spacegroup nameP 61 2 2
Unit cell lengths37.573, 37.573, 356.662
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution20.000 - 2.120
R-factor0.21992
Rwork0.218
R-free0.26105
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)C-terminal domain of pdb entry 1lin truncated to poly-ALA
RMSD bond length0.005
RMSD bond angle1.232
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareMOLREP
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.200
High resolution limit [Å]2.1202.120
Rmerge0.0770.306
Number of reflections9429
<I/σ(I)>23.398
Completeness [%]98.788.7
Redundancy13.59.38
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.7279CaCl2, MgCl2, cacodylate, PEG 8000, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 279K

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