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6ZCW

Crystal structure of lanthanide-dependent alcohol dehydrogenase PedH from Pseudomonas putida KT2440

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron sitePETRA III, EMBL c/o DESY
BeamlineP14 (MX2)
Temperature [K]100
Detector technologyPIXEL
Collection date2019-12-09
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.97626
Spacegroup nameP 43 21 2
Unit cell lengths105.280, 105.280, 187.130
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution47.080 - 1.650
Rwork0.156
R-free0.17170
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1flg
RMSD bond length0.006
RMSD bond angle0.883
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHENIX
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.8101.709
High resolution limit [Å]1.6501.650
Rmeas0.212
Rpim0.044
Number of reflections12672712456
<I/σ(I)>14.27
Completeness [%]100.0
Redundancy26.7
CC(1/2)0.9990.525
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.6293.150.25 mM PedH with equimolar concentration of PQQ and metal of interest in 0.1 M sodium acetate pH 4.6 and 30 % (w/v) PEG 2000 MME

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