1MRR

SUBSTITUTION OF MANGANESE FOR IRON IN RIBONUCLEOTIDE REDUCTASE FROM ESCHERICHIA COLI. SPECTROSCOPIC AND CRYSTALLOGRAPHIC CHARACTERIZATION

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	74.300, 85.500, 115.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 * - 2.500
R-factor	0.18
Rwork	0.180
RMSD bond length	0.012
RMSD bond angle	2.900
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000 *
High resolution limit [Å]	2.500 *
Rmerge	0.076 *
Number of reflections	22517 *
Completeness [%]	86.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *	37 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	PEG4000	20 (%)
3	1	reservoir		0.2 (M)
4	1	reservoir	dioxane	3 (%)
5	1	reservoir	MES	0.05 (M)