1JWJ

Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at Tetrahydrobiopterin Binding Site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-20
Detector	ADSC QUANTUM 4
Spacegroup name	P 61 2 2
Unit cell lengths	213.603, 213.603, 116.892
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.410 - 2.600
R-factor	0.218
Rwork	0.218
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nod
RMSD bond length	0.007
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]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.070 *	0.450 *
Total number of observations	142979 *
Number of reflections	46998
<I/σ(I)>	15.1	2
Completeness [%]	97.2	87
Redundancy	3.04

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6 *	4 *	Ammonium sulfate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	EPPS	40 (mM)
3	1	reservoir	ammonium sulfate	27-30 (%sat)
4	1	reservoir	MES	50 (mM)
5	1	reservoir	BOG	10-30 (mM)
6	1	reservoir	dithiothreitol	15-30 (mM)