1P8Q

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.916
Spacegroup name	P 32
Unit cell lengths	88.326, 88.326, 111.853
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.950
R-factor	0.262
Rwork	0.262
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rla
RMSD bond length	0.009
RMSD bond angle	23.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.130
High resolution limit [Å]	2.950	2.950
Rmerge	0.075	0.377 *
Number of reflections	18830
Completeness [%]	95.3	92.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	4 *	PEG 8000, Bicine, Manganese Chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Bicine-NaOH	50 (mM)	pH8.2-8.5
2	1	reservoir	PEG8000	20-30 (%)
3	1	reservoir		2-5 (mM)
4	1	drop	arginase I variant	10-16 (mg/ml)
5	1	drop	Bicine-NaOH	50 (mM)	pH8.5
6	1	drop		100000 (nM)