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4KOA

Crystal Structure Analysis of 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOTHER
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-03-16
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameC 2 2 21
Unit cell lengths68.895, 89.672, 94.487
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.480 - 1.930
R-factor0.16061
Rwork0.158
R-free0.20971
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2glx
RMSD bond length0.017
RMSD bond angle1.889
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareMOLREP
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.5001.980
High resolution limit [Å]1.9301.930
Rmerge0.1000.580
Number of reflections22202
<I/σ(I)>26.854.66
Completeness [%]99.291.5
Redundancy14.312.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.5298100 mM BisTRIS, 50 mM ammonium sulphate, 20 % (w/v) PEG-3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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