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3Q08

Crystal Structure of Chlorite Dismutase from D. Aromatica at pH 6.5

Replaces:  3M2Q
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-ID
Synchrotron siteAPS
Beamline19-ID
Temperature [K]100
Detector technologyCCD
Collection date2007-11-20
DetectorADSC QUANTUM 315
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths122.704, 202.850, 247.103
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.910 - 3.050
R-factor0.18037
Rwork0.178
R-free0.22079
Structure solution methodPhaser
RMSD bond length0.017
RMSD bond angle1.723
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0003.100
High resolution limit [Å]3.0503.050
Rmerge0.1050.348
Number of reflections117263
<I/σ(I)>4.682
Completeness [%]99.397.2
Redundancy7.66.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.529816% PEG 8000, 200mM CaAc2, 25mM NaNO2, 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298 K, temperature 298.0K

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