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5SMJ

Trypanothione reductase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2021-01-20
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.91264
Spacegroup nameP 21 21 21
Unit cell lengths80.560, 108.921, 111.950
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution78.190 - 1.650
R-factor0.194
Rwork0.193
R-free0.21800
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6rb5
RMSD bond length0.011
RMSD bond angle1.638
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]112.210112.2101.680
High resolution limit [Å]1.6504.4801.650
Rmerge0.0750.0281.109
Number of reflections118791
<I/σ(I)>15.471.20.9
Completeness [%]98.510096
CC(1/2)0.9901.0000.250
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8298MPD 22%, PEG 3350 14%, imidazole 40 mM pH 8

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