1RS7

Rat neuronal NOS heme domain with D-phenylalanine-D-nitroarginine amide bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-01-10
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	52.085, 110.909, 165.032
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.060 - 1.950
R-factor	0.216
Rwork	0.216
R-free	0.25100
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.037	0.149
Number of reflections	64254
<I/σ(I)>	13.2	4.7
Completeness [%]	91.5	54
Redundancy	3.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	280	PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K