9MYV

Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)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)	0.97947
Spacegroup name	P 1 21 1
Unit cell lengths	118.881, 52.226, 164.574
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.233 - 2.149
R-factor	0.1824
Rwork	0.180
R-free	0.23270
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.964
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]	39.630	2.190
High resolution limit [Å]	2.149	2.150
Rmerge	0.129	2.372
Rmeas	0.138	2.541
Rpim	0.049	0.899
Number of reflections	110978	5487
<I/σ(I)>	8.7
Completeness [%]	99.9	99.4
Redundancy	7.7	7.8
CC(1/2)	0.998	0.491

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