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1H2B

Crystal Structure of the Alcohol Dehydrogenase from the Hyperthermophilic Archaeon Aeropyrum pernix at 1.65A Resolution

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineBW7A
Temperature [K]100
Detector technologyCCD
Collection date2002-05-15
DetectorMARRESEARCH
Spacegroup nameP 21 21 2
Unit cell lengths100.661, 103.186, 67.521
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.000 - 1.620
R-factor0.16829
Rwork0.168
R-free0.20330

*

Structure solution methodMAD
Starting model (for MR)1hsz
RMSD bond length0.015

*

RMSD bond angle1.746

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCCP4
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]15.0001.650
High resolution limit [Å]1.6201.620
Rmerge0.0540.932
Number of reflections88078

*

<I/σ(I)>28.91.52
Completeness [%]97.995.6
Redundancy11.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, sitting drop

*

6.75pH 6.75
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirPIPES100 (mM)pH6.75
21reservoirPEG60013-16 (%(w/v))
31reservoirNADH0.5 (mM)
41dropprotein10 (mg/ml)

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