1PIZ

RIBONUCLEOTIDE REDUCTASE R2 D84E MUTANT SOAKED WITH FERROUS IONS AT NEUTRAL PH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-18
Detector	MACSCIENCE
Wavelength(s)	0.946
Spacegroup name	P 21 21 21
Unit cell lengths	74.000, 84.200, 114.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.207
Rwork	0.207
R-free	0.23800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pim
RMSD bond length	0.006
RMSD bond angle	18.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.062 *	0.240 *
Total number of observations	451466 *
Number of reflections	55182 *
Completeness [%]	95.7 *	90.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6 *	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	PEG4000	20 (%(w/v))
6	1	reservoir		200 (mM)
7	1	reservoir	EMTS	1 (mM)
8	1	reservoir	dioxane	0.5 (%(w/v))