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4CVB

Crystal structure of quinone-dependent alcohol dehydrogenase from Pseudogluconobacter saccharoketogenenes

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsENRAF-NONIUS FR591
Temperature [K]110
Detector technologyIMAGE PLATE
Collection date2009-02-02
DetectorMACSCIENCE
Spacegroup nameC 1 2 1
Unit cell lengths127.950, 87.190, 57.100
Unit cell angles90.00, 90.16, 90.00
Refinement procedure
Resolution27.950 - 1.720
R-factor0.12872
Rwork0.128
R-free0.14858
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB ENTRIES 1KB0 AND 1YIQ
RMSD bond length0.010
RMSD bond angle1.357
Data reduction softwareiMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.5001.840
High resolution limit [Å]1.7201.720
Rmerge0.0800.230
Number of reflections59031
<I/σ(I)>11.44.3
Completeness [%]88.931.3
Redundancy3.31.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1718-21% PEG550 MME, 20 MM ZN(AC)2, 100 MM PCB BUFFER PH 6-7

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