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1PED

BACTERIAL SECONDARY ALCOHOL DEHYDROGENASE (APO-FORM)

Experimental procedure
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X12C
Synchrotron siteNSLS
BeamlineX12C
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1995-09-22
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths80.400, 102.260, 193.500
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.150
R-factor0.215
Rwork0.215
R-free0.25800
Structure solution methodSIRAS
RMSD bond length0.005
RMSD bond angle22.960

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Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR (3.1)
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.180
High resolution limit [Å]2.1502.150
Rmerge0.042
Number of reflections69617
<I/σ(I)>28.54.68
Completeness [%]79.051.3
Redundancy2.481.53
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

7.5293

*

SEE REFERENCE 1., pH 7.5
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein15 (mg/ml)
21dropTris-HCl50 (mM)
31drop50 (mM)
41dropdithiothreitol0.1 (mM)
51drop0.05 (M)
61reservoirPEG400016 (%)
71reservoir50 (mM)
81reservoirTris-HCl50 (mM)

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