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2WWO

Yersinia pseudotuberculosis Superoxide Dismutase C

Replaces:  2WN0
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
Collection date2008-03-05
DetectorADSC CCD
Spacegroup nameP 31 2 1
Unit cell lengths97.546, 97.546, 81.810
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution48.773 - 2.400
R-factor0.1685
Rwork0.167
R-free0.20540
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1eso
RMSD bond length0.006
RMSD bond angle0.992
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]84.5002.530
High resolution limit [Å]2.4002.400
Rmerge0.1000.550
Number of reflections17976
<I/σ(I)>20.73.7
Completeness [%]100.0100
Redundancy10.510.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.50.1M MES-NAOH, PH 6.5, 0.2M ZNSO4, 25% PEG-MME 550

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