1K2R

Structure of rat brain nNOS heme domain complexed with NG-nitro-L-arginine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	51.650, 110.490, 164.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.500 - 2.150
R-factor	0.228
Rwork	0.228
R-free	0.27000
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.200
High resolution limit [Å]	2.150	2.150
Rmerge	0.095	0.677
Number of reflections	51470
<I/σ(I)>	7.5	2
Completeness [%]	97.2	97.2
Redundancy	3.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	280	PEG 4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K