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1D1Y

BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,3-PBITU (H4B FREE)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1999-06-20
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths58.660, 106.250, 156.440
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.320 - 2.200
R-factor0.223
Rwork0.223
R-free0.26800
RMSD bond length0.008
RMSD bond angle1.400
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.240
High resolution limit [Å]2.2002.200
Rmerge0.0740.770
Total number of observations144710

*

Number of reflections49094
<I/σ(I)>7.2
Completeness [%]97.693.1
Redundancy2.92.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.5280Raman, C.S., (1998) Cell (Cambridge,Mass.), 95, 939.

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11reservoirPEG335015 (%)
21reservoirmagnesium acetate200 (mM)
31reservoirsodium cacodylate100 (mM)pH6.5
41reservoirSEITU1 (mM)or 5mM L-Arg
51reservoirsodium dodecyl sulfate0.035 (mM)
61reservoirTris(2-carboxyethyl)phosphine5 (mM)or 5mM glutathione sulfonate

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