1F1V

ANAEROBIC SUBSTRATE COMPLEX OF HOMOPROTOCATECHUATE 2,3-DIOXYGENASE FROM ARTHROBACTER GLOBIFORMIS. (COMPLEX WITH 3,4-DIHYDROXYPHENYLACETATE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-07-02
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	139.420, 59.300, 103.200
Unit cell angles	90.00, 118.39, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.166
Rwork	0.166
R-free	0.20000
RMSD bond length	0.019
RMSD bond angle	1.900 *
Data reduction software	CRYSTAL (CLEAR)
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.059	0.236 *
Number of reflections	56746
<I/σ(I)>	15.5
Completeness [%]	96.7 *	93.6 *
Redundancy	3.80 *	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6.5 *	18 *	Peg 8000, Mg Acetate, Na cacodylate, pH 6.8, Batch crystallization, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	100 (mg/ml)
2	1	2	PEG8000	6-10 (%)
3	1	2	magnesium acetate	0.2 (M)
4	1	2	sodium cacodylate	100 (mM)	pH6.5