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2V1M

Crystal structure of Schistosoma mansoni glutathione peroxidase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
Collection date2007-05-05
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths41.397, 60.625, 62.542
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution62.500 - 1.000
R-factor0.176
Rwork0.175
R-free0.18400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2obi
RMSD bond length0.014
RMSD bond angle1.513
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]41.3801.050
High resolution limit [Å]1.0001.000
Rmerge0.1000.310
Number of reflections81445
<I/σ(I)>17.82.4
Completeness [%]100.095.3
Redundancy6.34.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.50.2M LISULFATE, 0.2M NAACETATE, PH 4.5, 24% PEG 8000

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