1P8P

Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Manganese Cluster of Arginase I.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1995-01-10
Detector	RIGAKU RAXIS II
Wavelength(s)	1.54
Spacegroup name	P 32
Unit cell lengths	89.000, 89.000, 115.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.890 - 2.500
R-factor	0.237
Rwork	0.237
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rla
RMSD bond length	0.009
RMSD bond angle	24.100 *
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.105	0.400
Number of reflections	26530
<I/σ(I)>	4.3	3.9
Completeness [%]	74.8	79.5
Redundancy	2.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	9	298	PEG 8000, Bicine, Manganese Chloride, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K