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5FVR

Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-METHYL-6-(2-(5-(1-METHYLPIPERIDIN-4-YL)PYRIDIN-3-YL) ETHYL)PYRIDIN-2-AMINE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyCCD
Collection date2015-03-20
DetectorADSC QUANTUM 315
Spacegroup nameP 21 21 21
Unit cell lengths52.090, 110.580, 163.910
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution55.290 - 1.842
R-factor0.1843
Rwork0.182
R-free0.21810
Structure solution methodOTHER
Starting model (for MR)NONE
RMSD bond length0.007
RMSD bond angle1.197
Data reduction softwareMOSFLM
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.900
High resolution limit [Å]1.8401.840
Rmerge0.1001.500
Number of reflections92324
<I/σ(I)>8.30.7
Completeness [%]99.6100
Redundancy3.93.9
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

217705

數據於2024-03-27公開中

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