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4WQA

Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - tetrathionate co-crystallization

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100.15
Detector technologyPIXEL
Collection date2013-06-20
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)1.000
Spacegroup nameC 1 2 1
Unit cell lengths79.192, 71.054, 57.781
Unit cell angles90.00, 129.11, 90.00
Refinement procedure
Resolution46.478 - 1.640
R-factor0.1674
Rwork0.165
R-free0.20410
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.601
Data reduction softwareXDS
Data scaling softwareXSCALE
Refinement softwarePHENIX ((phenix.refine: dev_1830))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.4801.700
High resolution limit [Å]1.6401.640
Rmerge0.0600.490
Number of reflections55147
<I/σ(I)>11.031.99
Completeness [%]97.092
Redundancy3.32.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.28293.1523.5% (w/v) PEG 3350, 0.1 M Bis-tris pH 6.28, 0.2 M (NH4)2SO4, 0.1 M NaI

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