1H98

New Insights into Thermostability of Bacterial Ferredoxins: High Resolution Crystal Structure of the Seven-Iron Ferredoxin from Thermus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	29.700, 42.120, 62.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.640
R-factor	0.159
Rwork	0.159
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fd1
RMSD bond length	0.009
RMSD bond angle	24.177 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.400	1.730
High resolution limit [Å]	1.640	1.640
Rmerge	0.092	0.234
Total number of observations	183792 *
Number of reflections	9579
<I/σ(I)>	5	2.4
Completeness [%]	96.3	98.8
Redundancy	19.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7 *		2.2 M AMMONIUM SULFATE, 0.1 M SODIUM ACETATE PH 5.0-5.4, 5-10% GLYCEROL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	5 (mM)	pH7.0
3	1	reservoir	ammonium sulfate	2.2 (M)
4	1	reservoir	sodium acetate	0.1 (M)	pH5.2