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3ETN

Crystal structure of putative phosphosugar isomerase involved in capsule formation (YP_209877.1) from Bacteroides fragilis NCTC 9343 at 1.70 A resolution

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyCCD
Collection date2008-08-01
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)0.91837,0.97910,0.97849
Spacegroup nameP 21 21 21
Unit cell lengths60.409, 114.267, 115.917
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.223 - 1.700
R-factor0.173
Rwork0.172
R-free0.19700
Structure solution methodMAD
RMSD bond length0.014
RMSD bond angle1.446
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.2.5)
Phasing softwareSHELX
Refinement softwareREFMAC (5.5.0053)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]29.22329.2231.740
High resolution limit [Å]1.7007.6001.700
Rmerge0.1030.0390.819
Total number of observations439829023
Number of reflections88793
<I/σ(I)>5.554150.9
Completeness [%]99.898.1100
Redundancy4.544.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP62775.0% PEG-6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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