1DW2

STRUCTURE OF THE NITRIC OXIDE COMPLEX OF REDUCED SHP, AN OXYGEN BINDING CYTOCHROME C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-08-01
Detector	MACSCIENCE
Spacegroup name	I 2 2 2
Unit cell lengths	83.345, 103.498, 113.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.167
R-free	0.22900
RMSD bond length	0.030 *
RMSD bond angle	3.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.101	0.300
Total number of observations	168292 *
Number of reflections	25342
<I/σ(I)>	13.6
Completeness [%]	89.7	90.3
Redundancy	6.64	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	298	ammonium sulfate, crystals were anaerobically reduced and NO added by reaction of dithionite with nitrite, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	3.1 (M)
2	1	reservoir	HEPES	100 (mM)