1DE0

MODULATING THE MIDPOINT POTENTIAL OF THE [4FE-4S] CLUSTER OF THE NITROGENASE FE PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-02-15
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 1 21 1
Unit cell lengths	56.540, 91.050, 63.350
Unit cell angles	90.00, 99.76, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.221
Rwork	0.221
R-free	0.28100
RMSD bond length	0.010
RMSD bond angle	2.576 *
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.077	0.253
Total number of observations	265157 *
Number of reflections	24852
Completeness [%]	95.2 *	75.5 *
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8.5	277	PEG 4000, 0.1 M TRIS HCL, 0.2 M SODIUM ACETATE, pH 8.5, SMALL TUBES, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	30 (%)
2	1	1	Tris-HCl	0.1 (M)
3	1	1	sodium acetate	0.2 (M)