1CFW

GA-SUBSTITUTED DESULFOREDOXIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	293
Spacegroup name	P 32 2 1
Unit cell lengths	42.200, 42.200, 72.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.700 - 1.900
R-factor	0.179
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.026
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.700
High resolution limit [Å]	1.950
Rmerge	0.118 *	0.368 *
Total number of observations	46772 *
Number of reflections	6148
Completeness [%]	98.2	93.9 *
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.6 *		pH 4.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	reservoir	ammonium sulfate