9CVM

Structure of rat neuronal nitric oxide synthase R349A mutant bound with 4-methyl-5'-((methylamino)methyl)-[2,3'-bipyridin]-6-amine dihydrochloride

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2023-03-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	48.462, 113.007, 162.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.416 - 1.800
R-factor	0.2183
Rwork	0.216
R-free	0.25640
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.015
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]	46.420	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.086	5.713
Rmeas	0.090	6.066
Rpim	0.027	2.007
Total number of observations	468353	21887
Number of reflections	41948	2427
<I/σ(I)>	9.2	0.4
Completeness [%]	100.0
Redundancy	11.2	9
CC(1/2)	0.999	0.714

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	278	20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30uM SDS, 5 mM GSH