1RNR

AUTOCATALYTIC GENERATION OF DOPA IN THE ENGINEERED PROTEIN R2 F208Y FROM ESCHERICHIA COLI RIBONUCLEOTIDE REDUCTASE AND CRYSTAL STRUCTURE OF THE DOPA-208 PROTEIN

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	74.100, 85.300, 115.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.186
Rwork	0.186
RMSD bond length	0.014
RMSD bond angle	2.800
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	60.000 *
High resolution limit [Å]	2.500 *
Rmerge	0.090 *
Total number of observations	67726 *
Number of reflections	24658 *
Completeness [%]	94.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6 *	20 *	Nordlund, P. (1989) FEBS Lett., 258, 251. *

Crystallization Reagents in Literatures

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