1FF2

CRYSTAL STRUCTURE OF THE C42D MUTANT OF AZOTOBACTER VINELANDII 7FE FERREDOXIN (FDI)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-01
Detector	RIGAKU RAXIS II
Spacegroup name	P 41 21 2
Unit cell lengths	55.300, 55.300, 90.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.800 - 2.300
R-factor	0.217
Rwork	0.217
R-free	0.26900
RMSD bond length	0.017
RMSD bond angle	2.640
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]	40.000 *	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.171	0.780
Total number of observations	48416 *
Number of reflections	6640 *
<I/σ(I)>	11.8
Completeness [%]	98.8	99.7
Redundancy	7.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4 *	2 *	Shen, B., (1994) J.Biol.Chem., 269, 8564. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7-10 (mg/ml)
2	1	drop	potassium phosphate	0.5 (M)
3	1	drop	ammonium sulfate	1.2 (M)
4	1	reservoir	ammonium sulfate	3.5 (M)