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2WWN

Yersinia pseudotuberculosis Superoxide Dismutase C with bound Azide

Replaces:  2WN1
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 lengths96.561, 96.561, 81.716
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution41.812 - 2.600
R-factor0.1882
Rwork0.186
R-free0.23200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1eso
RMSD bond length0.004
RMSD bond angle0.870
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.740
High resolution limit [Å]2.6002.000
Rmerge0.1000.600
Number of reflections13914
<I/σ(I)>18.82.9
Completeness [%]100.0100
Redundancy8.78.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.50.1M MES-NAOH, PH 6.5, 0.2M ZNSO4, 25% PEG-MME 550, 10MM NA AZIDE

246031

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