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4WQD

Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208G mutant

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100.15
Detector technologyPIXEL
Collection date2014-02-18
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.954
Spacegroup nameC 1 2 1
Unit cell lengths79.093, 70.811, 57.873
Unit cell angles90.00, 128.99, 90.00
Refinement procedure
Resolution39.450 - 1.220
R-factor0.1529
Rwork0.151
R-free0.18320
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.485
Data reduction softwareXDS
Data scaling softwareXSCALE
Refinement softwarePHENIX ((phenix.refine: dev_1830))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]39.4501.270
High resolution limit [Å]1.2201.220
Rmerge0.0350.400
Number of reflections102946
<I/σ(I)>11.392.03
Completeness [%]91.064
Redundancy1.51.5
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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