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4OCF

Crystal structure of the disulfide oxidoreductase DsbA (S30XXC33) active site mutant from Proteus mirabilis

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron siteAustralian Synchrotron
BeamlineMX2
Temperature [K]100
Detector technologyCCD
Collection date2012-11-08
DetectorADSC QUANTUM 315r
Wavelength(s)0.95370
Spacegroup nameP 1 21 1
Unit cell lengths37.990, 80.210, 114.450
Unit cell angles90.00, 91.06, 90.00
Refinement procedure
Resolution57.215 - 1.979
R-factor0.155
Rwork0.152
R-free0.21160
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4oce
RMSD bond length0.011
RMSD bond angle1.244
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX ((phenix.refine: 1.8_1069))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]57.2202.090
High resolution limit [Å]1.9791.979
Rmerge0.0730.155
Number of reflections47865
<I/σ(I)>14.38.4
Completeness [%]99.798.9
Redundancy3.73.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP293KSCN, PEG33500, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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