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4DUQ

The Structure of Ca2+-loaded S100A2 at 1.3A resolution

Replaces:  3N22
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyCCD
Collection date2005-04-28
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.90
Spacegroup nameP 31 2 1
Unit cell lengths84.670, 84.670, 58.300
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution45.630 - 1.300
R-factor0.1376
Rwork0.136
R-free0.16800
Structure solution methodSAD
RMSD bond length0.019
RMSD bond angle1.897
Data scaling softwareXSCALE
Phasing softwareSHELX
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]45.6301.400
High resolution limit [Å]1.30010.0001.300
Rmerge0.0380.0120.012
Number of reflections5943615211723
<I/σ(I)>30.22141.122.12
Completeness [%]99.993.899.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP42930.1 mM Na+ acetate, 40% PEG 400, pH 4.0, vapor diffusion, hanging drop, temperature 293K

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