5AGL

Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid

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	CCD
Collection date	2009-03-30
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	52.010, 111.340, 164.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.590 - 1.940
R-factor	0.18057
Rwork	0.179
R-free	0.20989
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.013
RMSD bond angle	1.431
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.5.0089)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.940	1.940
Rmerge	0.070	0.620
Number of reflections	71588
<I/σ(I)>	21.9	2
Completeness [%]	99.6	99.9
Redundancy	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.8		20-22% PEG3350, 0.1M MES PH5.8, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS