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3JT6

Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-1
Synchrotron siteSSRL
BeamlineBL9-1
Temperature [K]100
Detector technologyCCD
Collection date2008-11-30
DetectorADSC QUANTUM 315
Wavelength(s)0.976
Spacegroup nameP 21 21 21
Unit cell lengths51.840, 110.770, 164.580
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.860 - 2.200
R-factor0.18981
Rwork0.187
R-free0.24354
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1om4
RMSD bond length0.014
RMSD bond angle1.554
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareREFMAC (5.5.0089)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.240
High resolution limit [Å]2.2002.200
Rmerge0.0970.591
Number of reflections47686
<I/σ(I)>7.21.9
Completeness [%]97.082.5
Redundancy3.93.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.8278PEG3350, MES, ammonium acetate, SDS, GSH , pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K

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