1F20

CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE FAD/NADP+ DOMAIN AT 1.9A RESOLUTION.

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	1999-02-17
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	59.070, 64.370, 159.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.000 - 1.900
R-factor	0.186 *
Rwork	0.186
R-free	0.20600
RMSD bond length	0.006
RMSD bond angle	1.399
Data reduction software	BADXV
Phasing software	AMoRE ((CCP4 SUIT))
Refinement software	CNS (V0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.067 *	0.405 *
Total number of observations	233747 *
Number of reflections	41327 *
<I/σ(I)>	9.4
Completeness [%]	84.7	69.7
Redundancy	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.6 *	4 *	EVAPORATION

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	potassium phosphate	30 (mM)
3	1	drop	NADP+	0.3 (mM)
4	1	reservoir	PEG4000	9 (%)
5	1	reservoir	HEPES	0.1 (M)
6	1	reservoir	sodium formate	0.4 (M)