1G3O

CRYSTAL STRUCTURE OF V19E MUTANT OF FERREDOXIN I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-01-01
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	54.930, 54.930, 92.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.650
R-factor	0.2491
Rwork	0.249
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7fd1
RMSD bond length	0.023
RMSD bond angle	3.570
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	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.074	0.468
Number of reflections	17756
<I/σ(I)>	25.5
Completeness [%]	99.7	98.6
Redundancy	7.7	6.9

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)