1DP8

CRYSTAL STRUCTURE OF THE NITRIC OXIDE BOUND FIXL HEME DOMAIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Spacegroup name	H 3 2
Unit cell lengths	127.148, 127.148, 58.249
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.205
Rwork	0.205
R-free	0.25200
RMSD bond length	0.014
RMSD bond angle	1.780
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	2.500	2.500
Rmerge	0.059	0.293
Total number of observations	45555 *
Number of reflections	6138
Completeness [%]	97.0	92.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	4 *	W, Gong, (1998) Proc.Natl.Acad.Sci.USA, 95, 15177. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		4.5 (M)
2	1	reservoir	MPD	5 (%(v/v))
3	1	reservoir	HEPES	0.1 (M)