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6YPZ

Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis

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Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06DA
Synchrotron siteSLS
BeamlineX06DA
Temperature [K]298
Detector technologyPIXEL
Collection date2018-11-22
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.0
Spacegroup nameI 1 2 1
Unit cell lengths87.828, 59.965, 88.428
Unit cell angles90.00, 102.51, 90.00
Refinement procedure
Resolution49.298 - 1.080
Rwork0.146
R-free0.16530
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4osp
RMSD bond length0.022
RMSD bond angle2.215
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.3001.108
High resolution limit [Å]1.0801.080
Rmerge0.0540.679
Rmeas0.0640.827
Number of reflections42898567732
<I/σ(I)>13.42.1
Completeness [%]95.499.1
Redundancy3.13
CC(1/2)0.9990.648
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP291.1520% PEG 3350, 0.1 M Na Malonate, 0.1 M BIS-TRIS prop, pH 6.5

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