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1OKG

3-mercaptopyruvate sulfurtransferase from Leishmania major

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-2
Synchrotron siteESRF
BeamlineID14-2
Temperature [K]100
Detector technologyCCD
Collection date2002-06-21
DetectorADSC CCD
Spacegroup nameP 42 21 2
Unit cell lengths109.574, 109.574, 67.300
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution76.700 - 2.100
R-factor0.212
Rwork0.208
R-free0.28700
Structure solution methodOTHER
RMSD bond length0.016

*

RMSD bond angle1.700

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareREFMAC (5.1.24)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.000

*

2.170
High resolution limit [Å]2.1002.100
Rmerge0.0470.316
Total number of observations131345

*

Number of reflections23924
<I/σ(I)>23.24.5
Completeness [%]97.897.2
Redundancy5.45.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

6.5

*

20

*

pH 8.00
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein3.5 (mg/ml)
21reservoirPEG800014 (%(w/v))
31reservoirsodium cacodylate80 (mM)pH6.5
41reservoircalcium acetate160 (mM)

217705

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