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4XYN

X-ray structure of Ca(2+)-S100B with human RAGE-derived W61 peptide

Replaces:  4N6I
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2012-11-05
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.9792
Spacegroup nameP 21 21 2
Unit cell lengths68.785, 86.684, 66.534
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution53.882 - 2.550
R-factor0.2053
Rwork0.203
R-free0.25370
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.015
RMSD bond angle1.500
Data scaling softwareXDS
Phasing softwareBALBES
Refinement softwarePHENIX ((phenix.refine: 1.8.4_1496))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]53.8822.640
High resolution limit [Å]2.5502.550
Number of reflections12927
<I/σ(I)>12.92.2
Completeness [%]95.798.8
Redundancy2.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.82930.1M Na cacodylate, pH 6.8, 25% w/v PEG 3350, 9mM CaCl2

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