1DP9

CRYSTAL STRUCTURE OF IMIDAZOLE-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	125.966, 125.966, 58.734
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.195
Rwork	0.195
R-free	0.26300
RMSD bond length	0.014
RMSD bond angle	1.820
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]	2.600	2.600
Rmerge	0.058	0.260
Total number of observations	53578 *
Number of reflections	5137
Completeness [%]	91.9	83.3

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)