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3I83

Crystal structure of 2-dehydropantoate 2-reductase from Methylococcus capsulatus

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Temperature [K]100
Detector technologyCCD
Collection date2009-07-08
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)0.97958
Spacegroup nameP 21 21 21
Unit cell lengths75.851, 79.179, 100.626
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.900
R-factor0.194
Rwork0.192
R-free0.22700
Structure solution methodSAD
RMSD bond length0.018
RMSD bond angle1.523
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.9)
Phasing softwareSHELXCD
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]28.6052.000
High resolution limit [Å]1.9001.900
Rmerge0.0980.475
Number of reflections48181
<I/σ(I)>15.64.9
Completeness [%]99.599.2
Redundancy10.710.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION4.7294100mM sodium acetate pH 4.7, 16% PEG 4K, 100mM ammonium acetate, vapor diffusion, temperature 294K

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