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7UTF

Structure-Function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08B1-1
Synchrotron siteCLSI
Beamline08B1-1
Temperature [K]100
Detector technologyCCD
Collection date2019-06-28
DetectorRAYONIX MX300HE
Wavelength(s)1.033210
Spacegroup nameP 4 21 2
Unit cell lengths159.450, 159.450, 163.900
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.450 - 2.500
R-factor0.1871
Rwork0.185
R-free0.23410
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4xk2
RMSD bond length0.002
RMSD bond angle0.433
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.19_4092)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.4502.589
High resolution limit [Å]2.5002.500
Rmerge0.2622.503
Rmeas0.2702.581
Rpim0.0660.627
Number of reflections734197223
<I/σ(I)>11.521.3
Completeness [%]99.899.81
Redundancy16.416.6
CC(1/2)0.9980.595
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

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