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3HUR

Crystal structure of alanine racemase from Oenococcus oeni

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Temperature [K]100
Detector technologyCCD
Collection date2009-06-12
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.97958
Spacegroup nameF 2 2 2
Unit cell lengths118.499, 130.549, 189.441
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.500
R-factor0.22
Rwork0.219
R-free0.25200
Structure solution methodSAD
RMSD bond length0.017
RMSD bond angle1.618
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.9)
Phasing softwareSHELXCD
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]26.7622.640
High resolution limit [Å]2.5002.500
Rmerge0.0970.365
Number of reflections25510
<I/σ(I)>14.75.3
Completeness [%]99.9100
Redundancy8.38.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION3.5294100mM citric acid pH 3.5, 2.0M ammonium sulfate, vapor diffusion, temperature 294K

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