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8PLW

Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 33.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-02-27
DetectorDECTRIS EIGER2 XE 9M
Wavelength(s)0.92819
Spacegroup nameP 1 21 1
Unit cell lengths62.240, 103.440, 134.400
Unit cell angles90.00, 91.96, 90.00
Refinement procedure
Resolution28.160 - 1.780
R-factor0.2248
Rwork0.223
R-free0.24970
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle0.960
Data reduction softwarexia2
Data scaling softwarexia2
Phasing softwareDIMPLE
Refinement softwareREFMAC (5.8.0189)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]51.6901.833
High resolution limit [Å]1.7701.770
Number of reflections16230216125
<I/σ(I)>6.18
Completeness [%]98.7
Redundancy1.9
CC(1/2)0.9960.484
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2980.1 M Calcium chloride dihydrate, 0.1 M Magnesium chloride hexahydrate, 0.1 M PIPES pH 7.0 and 22.5 % v/v PEG Smear Medium

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