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1DLG

CRYSTAL STRUCTURE OF THE C115S ENTEROBACTER CLOACAE MURA IN THE UN-LIGANDED STATE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM1A
Synchrotron siteESRF
BeamlineBM1A
Temperature [K]120
Detector technologyIMAGE PLATE
Collection date1998-11-20
DetectorMARRESEARCH
Spacegroup nameC 1 2 1
Unit cell lengths86.685, 155.532, 83.820
Unit cell angles90.00, 91.82, 90.00
Refinement procedure
Resolution14.970 - 1.900
R-factor0.173

*

Rwork0.173
R-free0.19700
RMSD bond length0.014
RMSD bond angle1.800
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]14.9701.930
High resolution limit [Å]1.9001.900
Rmerge0.0330.119
Total number of observations703604

*

Number of reflections86085
<I/σ(I)>35.8
Completeness [%]99.291.9
Redundancy72
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.9

*

2920.4-0.8 M sodium/potassium phosphate including 20-40 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 19K, temperature 292K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropsodium potassium phosphate325 (mM)pH6.9
21dropdithiothreitol1 (mM)
31dropprotein40 (mg/ml)
41dropcyclohexylammonium phosphate20 (mM)
51reservoirsodium potassium phospahte1 (M)pH6.5

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