1D3V

CRYSTAL STRUCTURE OF THE BINUCLEAR MANGANESE METALLOENZYME ARGINASE COMPLEXED WITH 2(S)-AMINO-6-BORONOHEXANOIC ACID, AN L-ARGININE ANALOG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	93
Detector technology	CCD
Collection date	1999-08-30
Detector	OTHER
Spacegroup name	P 3
Unit cell lengths	91.300, 91.300, 69.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.157
Rwork	0.157
R-free	0.17900
RMSD bond length	0.008
RMSD bond angle	23.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.053	0.125
Total number of observations	126870 *
Number of reflections	66822 *
<I/σ(I)>	22.9
Completeness [%]	91.7	59.2
Redundancy	3.8	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *		pH 8.10

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	arginase	11 (mg/ml)
2	1	drop	ABH	2 (mM)
3	1	drop		5 (mM)
4	1	drop	beta-mercaptoethanol	2 (mM)
5	1	drop	Bicine	25 (mM)	pH8.5
6	1	reservoir	PEG1500	26 (%)
7	1	reservoir	bicine	100 (mM)	pH8.1