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9CW0

Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-(5-((3,3-difluoroazetidin-1-yl)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.2
Synchrotron siteALS
Beamline5.0.2
Temperature [K]100
Detector technologyPIXEL
Collection date2023-03-18
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.000
Spacegroup nameP 1 21 1
Unit cell lengths116.430, 51.778, 163.126
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.350 - 2.100
R-factor0.1973
Rwork0.195
R-free0.23600
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.007
RMSD bond angle1.097
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwarePHENIX ((1.20.1_4487: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]49.3502.140
High resolution limit [Å]2.1002.100
Rmerge0.2122.072
Rmeas0.2492.428
Rpim0.1311.356
Number of reflections1449155469
<I/σ(I)>4.1
Completeness [%]97.297.6
Redundancy3.73.7
CC(1/2)0.9720.294
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.22788% PEG3350, 35 mM citric acid, 65 mM Bis-Tris propane, 10% glycerol, 5 mM TCEP

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PDB entries from 2025-06-18

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