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5FVT

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4- methylpyridin-2-amine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyCCD
Collection date2015-05-31
DetectorADSC QUANTUM 315
Spacegroup nameP 21 21 21
Unit cell lengths52.155, 110.797, 163.871
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.896 - 1.828
R-factor0.1728
Rwork0.171
R-free0.20510
Structure solution methodOTHER
Starting model (for MR)NONE
RMSD bond length0.007
RMSD bond angle1.184
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.880
High resolution limit [Å]1.8301.830
Rmerge0.0701.050
Number of reflections84053
<I/σ(I)>120.9
Completeness [%]98.882.7
Redundancy4.43
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.820-24% PEG3350, 0.1M MES, 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS, 5 MM GSH, pH 5.8

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