9MYW

Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound 2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(2-aminoethyl)phenol

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	52.280, 118.366, 164.846
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	39.182 - 2.305
R-factor	0.1847
Rwork	0.181
R-free	0.24610
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.938
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.460	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.113	1.559
Rmeas	0.135	1.900
Rpim	0.073	1.070
Total number of observations	278016
Number of reflections	87948	4419
<I/σ(I)>	6.1
Completeness [%]	98.8	98.1
Redundancy	3.2	3
CC(1/2)	0.971	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277	8% PEG3350 35mM citric acid 65mM Bis-Tris-Propane 10% glycerol 5mM TCEP