1ISA

STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	81.550, 75.080, 71.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.800
R-factor	0.188
Rwork	0.188
RMSD bond length	0.013
RMSD bond angle	2.739
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000 *
High resolution limit [Å]	1.800 *
Rmerge	0.059 *
Number of reflections	37923 *
Completeness [%]	92.0 *
Redundancy	4.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	4 *	taken from Stallings, W.C.(1983). Proc. Natl. Acad. Sci. U.S.A., 80, 3884-3888. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-10 (mg/ml)	0.01ml
2	1	drop	phosphate	5 (mM)
3	1	drop	ammonium sulfate		0.005ml
4	1	reservoir	ammonium sulfate	40 (%sat)
5	1	reservoir	potassium acid	0.5 (M)