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4CAO

Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-(3-Fluorophenyl(propylamino)ethyl))quinolin-2- amine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]100
Detector technologyPIXEL
Collection date2013-07-29
DetectorDECTRIS PILATUS
Spacegroup nameP 21 21 21
Unit cell lengths52.088, 111.531, 165.175
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution92.430 - 1.980
R-factor0.1982
Rwork0.196
R-free0.23644
Structure solution methodOTHER
Starting model (for MR)NONE
RMSD bond length0.015
RMSD bond angle2.202
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwareREFMAC
Refinement softwareREFMAC (5.6.0117)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.090
High resolution limit [Å]1.9801.980
Rmerge0.0701.370
Number of reflections66671
<I/σ(I)>15.71.3
Completeness [%]99.598.4
Redundancy5.55.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.820-24% PEG3350, 0.1M MES, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30 UM SDS, pH 5.8

217705

數據於2024-03-27公開中

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