4UH7

Structure of bovine endothelial nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1, N2-dimethylethane-1,2-diamine

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	2013-03-31
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	58.001, 106.411, 157.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.449 - 2.235
R-factor	0.1614
Rwork	0.159
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.155
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.240	2.240
Rmerge	0.060	0.660
Number of reflections	47727
<I/σ(I)>	29.9	2.3
Completeness [%]	99.6	99.9
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP