1QW4

Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in complex with N-omega-propyl-L-arginine.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	P 61 2 2
Unit cell lengths	214.603, 214.603, 117.464
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.215
Rwork	0.213
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008 *
RMSD bond angle	1.300 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.059 *	0.384 *
Total number of observations	350863 *
Number of reflections	128211 *
<I/σ(I)>	9.8	2.6
Completeness [%]	95.4	89.4
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6 *	4 *	MES, sodium malonate, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, N-omega-propyl-L-Arg., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
10	1	reservoir		0.7 (M)
2	1	drop	sodium EPPS	40 (mM)	pH7.6
3	1	drop		150 (mM)
4	1	drop	glycerol	5 (%)
5	1	drop		4000 (nM)
6	1	drop	beta-mercaptoethanol	2 (mM)
7	1	drop	beta-octyl-glycoside	50 (mM)
8	1	drop	inhibitor	1-10 (mM)
9	1	reservoir	sodium-MES	100 (mM)	pH6.5