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1C7I

THERMOPHYLIC PNB ESTERASE

Replaces:  1C00
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.2
Synchrotron siteALS
Beamline5.0.2
Temperature [K]100
Detector technologyCCD
Collection date1998-04-12
DetectorADSC QUANTUM
Spacegroup nameP 21 21 21
Unit cell lengths66.068, 80.322, 100.252
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution25.000 - 2.000
R-factor0.203
Rwork0.203
R-free0.24500
RMSD bond length0.006
RMSD bond angle23.200

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0630.339
Number of reflections37264
<I/σ(I)>16.6
Completeness [%]97.884.6
Redundancy4.83.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

7.518

*

20% PEG 4000, 100MM TRIS, 200MM MGAC, pH 7.50
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein15 (mg/ml)
21reservoirPEG400020 (%)
31reservoirTris100 (mM)
41reservoir200 (mM)

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