1JM1

Crystal structure of the soluble domain of the Rieske protein II (soxF) from Sulfolobus acidocaldarius

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	1999-10-29
Detector	MARRESEARCH
Wavelength(s)	1.0000
Spacegroup name	P 61
Unit cell lengths	80.252, 80.252, 75.624
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.000 * - 1.110
R-factor	0.1063
Rwork	0.106
R-free	0.12470
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	0.035
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.000 *	1.130
High resolution limit [Å]	1.110	1.110
Rmerge	0.047 *	0.275
Total number of observations	2039387 *
Number of reflections	112015 *
<I/σ(I)>	32.4	3.8
Completeness [%]	98.2	73.6
Redundancy	18.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	PEG 8000, magnesium acetate, sodium cacodylate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, at 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	10 (%(w/v))
2	1	reservoir	magnesium acetate	0.2 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH7.0