3FC5

G586S mutant nNOSoxy

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-15
Detector	MARRESEARCH
Wavelength(s)	0.9737
Spacegroup name	P 21 21 21
Unit cell lengths	51.623, 110.276, 164.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.266 - 2.590
R-factor	0.2027
Rwork	0.199
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1om4
RMSD bond length	7006.000
RMSD bond angle	9532.000
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.690
High resolution limit [Å]	2.590	2.590
Rmerge	0.100	0.240
Number of reflections	27819
<I/σ(I)>	13.9	2.79
Completeness [%]		70.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	100mM Na-MES buffer (pH 5.8-6.0), 200mM ammonium acetate, 25mM L-arginine, 35microM sodium dodecyl sulfate(SDS), 5mM glutathione, 2% isopropanol, 22-24% (w/v) PEG 3350 , VAPOR DIFFUSION, temperature 291K