1JQC

Mn substituted Ribonucleotide reductase R2 from E. Coli oxidized by hydrogen peroxide and hydroxylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-02-07
Detector	MARRESEARCH
Wavelength(s)	0.88
Spacegroup name	P 21 21 21
Unit cell lengths	73.848, 84.554, 114.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.000 - 1.610
R-factor	0.176 *
Rwork	0.176
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000	1.710
High resolution limit [Å]	1.610	1.610
Rmerge	0.065	0.286 *
Number of reflections	91243
Completeness [%]	97.8	99.3 *
Redundancy	3.9	3.9 *

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	0.3 (%)
4	1	reservoir	MES	0.05 (M)	pH6.0
5	1	reservoir	EMTS
6	1	drop	protein	20 (mg/ml)