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3LK0

X-ray structure of bovine SC0067,Ca(2+)-S100B

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-12-08
DetectorRIGAKU RAXIS IV++
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths28.607, 59.122, 103.998
Unit cell angles90.00, 92.52, 90.00
Refinement procedure
Resolution19.360 - 2.040
R-factor0.238
Rwork0.235
R-free0.29100
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.017
RMSD bond angle1.557
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER (1.3.3)
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.120
High resolution limit [Å]2.0404.4202.050
Rmerge0.0750.0500.428
Number of reflections21525
<I/σ(I)>11.6
Completeness [%]98.493.899.8
Redundancy43.74
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7298MPD, CaCl2, SC0067, Bis-Tris buffer, pH 7.0, sitting drop, temperature 298K, VAPOR DIFFUSION, SITTING DROP

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