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1C7J

PNB ESTERASE 56C8

Replaces:  1QE8
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 lengths67.507, 81.833, 98.837
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution25.000 - 1.600
R-factor0.214
Rwork0.214
R-free0.22800
RMSD bond length0.006
RMSD bond angle22.100

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareSOLVE
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0001.660
High resolution limit [Å]1.6001.600
Rmerge0.0480.318
Number of reflections67818
<I/σ(I)>40.4
Completeness [%]93.061.4
Redundancy8.95.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

8.418

*

29% PEG 4000, 100MM TRIS, 175 LISO4, 10MM DMF, pH 8.40
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein20 (mg/ml)
21reservoirPEG400029 (%)
31reservoirTris100 (mM)
41reservoir160-185 (mM)
51reservoirdimethylformamide8-12 (%)

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