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3NLV

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-(2,2-Difluoro-2-(3-fluorophenyl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-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 date2009-03-30
DetectorADSC QUANTUM 315r
Wavelength(s)1.000
Spacegroup nameP 21 21 21
Unit cell lengths52.266, 111.663, 164.439
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution41.060 - 2.100
R-factor0.17668
Rwork0.175
R-free0.21066
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1om4
RMSD bond length0.013
RMSD bond angle1.325
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareREFMAC
Refinement softwareREFMAC
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.140
High resolution limit [Å]2.1002.100
Rmerge0.0800.590
Number of reflections56857
<I/σ(I)>9.12.9
Completeness [%]99.799.5
Redundancy5.65.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP5.8277PEG 3350, MES, ammonium acetate SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K

217705

數據於2024-03-27公開中

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