1PIM

DITHIONITE REDUCED E. COLI RIBONUCLEOTIDE REDUCTASE R2 SUBUNIT, D84E MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	1998-11-20
Detector	MARRESEARCH
Wavelength(s)	1.0045
Spacegroup name	P 21 21 21
Unit cell lengths	74.100, 84.600, 114.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 1.980 *
R-factor	0.204
Rwork	0.204
R-free	0.24500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Diferric wildtype ribonucleotide reductase R2 without metal ions or solvent molecules
RMSD bond length	0.007
RMSD bond angle	19.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000 *	2.130
High resolution limit [Å]	1.980 *	2.000
Rmerge	0.074 *	0.298 *
Total number of observations	480461 *
Number of reflections	49651 *
Completeness [%]	98.7 *	98.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	37 *	20% PEG 4000, 200mM NaCl, 50mM MES, 0.3% dioxane, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 310K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	100 (mM)	pH7.6
3	1	drop	EMTS	1 (mM)
4	1	reservoir	MES	50 (mM)	pH6.0
5	1	reservoir		200 (mM)
6	1	reservoir	PEG4000	20 (%)
7	1	reservoir	dioxane	0.3 (%)
8	1	reservoir	EMTS	1 (mM)