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6BPY

Aspergillus fumigatus Thioredoxin Reductase

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron siteAustralian Synchrotron
BeamlineMX1
Temperature [K]100
Detector technologyCCD
Collection date2015-08-07
DetectorADSC QUANTUM 210r
Wavelength(s)0.9537
Spacegroup nameP 32 2 1
Unit cell lengths159.220, 159.220, 121.370
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution29.970 - 3.201
R-factor0.2325
Rwork0.231
R-free0.26130
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3d8x
Data reduction softwareMOSFLM
Data scaling softwareAimless (0.5.17)
Phasing softwarePHASER (2.5.6)
Refinement softwarePHENIX
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]29.97029.9703.390
High resolution limit [Å]3.2009.6003.200
Rmerge0.1910.0662.309
Rmeas0.1990.0682.451
Rpim0.0550.0160.792
Number of reflections2843411534208
<I/σ(I)>9.4
Completeness [%]95.996.788.9
Redundancy12.318.38.2
CC(1/2)0.9940.9990.441
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION728932% Tacsimate

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