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4CTQ

Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)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 date2013-01-21
DetectorADSC QUANTUM 315r
Spacegroup nameP 21 21 21
Unit cell lengths51.984, 111.165, 164.239
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.960 - 2.000
R-factor0.18834
Rwork0.186
R-free0.22473
Structure solution methodOTHER
Starting model (for MR)NONE
RMSD bond length0.012
RMSD bond angle1.496
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareREFMAC
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.030
High resolution limit [Å]2.0002.000
Rmerge0.0600.720
Number of reflections64775
<I/σ(I)>25.72
Completeness [%]99.499.1
Redundancy43.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.820-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8

217705

數據於2024-03-27公開中

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