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5G0N

Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL) PYRIDIN-3-YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyCCD
Collection date2015-02-19
DetectorADSC QUANTUM 315
Spacegroup nameP 21 21 21
Unit cell lengths51.779, 110.201, 164.168
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.828 - 1.936
R-factor0.1773
Rwork0.175
R-free0.21570
Structure solution methodOTHER
Starting model (for MR)NONE
RMSD bond length0.007
RMSD bond angle1.141
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.000
High resolution limit [Å]1.9401.940
Rmerge0.1101.230
Number of reflections70703
<I/σ(I)>9.11.1
Completeness [%]99.693.4
Redundancy54.2
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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數據於2024-03-27公開中

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