1NIW

Crystal structure of endothelial nitric oxide synthase peptide bound to calmodulin

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979214, 0.979071, 0.911656
Spacegroup name	P 1 21 1
Unit cell lengths	68.521, 73.952, 71.142
Unit cell angles	90.00, 111.40, 90.00

Refinement procedure

Resolution	19.780 - 2.050
R-factor	0.223
Rwork	0.223
R-free	0.24800 *
Structure solution method	MAD
RMSD bond length	0.023
RMSD bond angle	1.130 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.060 *	0.350 *
Total number of observations	129886 *
Number of reflections	41626 *
<I/σ(I)>	26.6	3.3
Completeness [%]	99.7 *	99 *
Redundancy	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	298	Polyethylene glycol, ammonium sulfate, pH 5, VAPOR DIFFUSION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	23 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.5
3	1	drop	dithiothreitol	1 (mM)
4	1	drop	peptide	5 (mM)
5	1	drop		5 (mM)
6	1	reservoir	PEG8000	25-30 (%(w/v))
7	1	reservoir	ammonium sulfate	0.3-0.4 (M)	pH4.5-5.0