1DMH

STRUCTURE OF CATECHOL 1,2-DIOXYGENASE FROM ACINETOBACTER SP. ADP1 WITH BOUND 4-METHYLCATECHOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1999-01-02
Detector	SIEMENS HI-STAR
Spacegroup name	P 1 21 1
Unit cell lengths	52.800, 88.000, 84.400
Unit cell angles	90.00, 96.30, 90.00

Refinement procedure

Resolution	20.000 - 1.800 *
R-factor	0.185
Rwork	0.185
R-free	0.21800
RMSD bond length	0.011
RMSD bond angle	1.700
Data scaling software	X-GEN
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.750
High resolution limit [Å]	1.700	1.680
Rmerge	0.040	0.294
Number of reflections	87127 *
<I/σ(I)>	17.5
Completeness [%]	93.0 *	60 *
Redundancy	2.5	1.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	10-15% PEG5000, 100MM TRIS-HCL, PH 7.5, .2M MGACETATE, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	60 (mg/ml)
2	1	reservoir	PEG5000	15 (%)
3	1	reservoir	magnesium acetate	200 (mM)
4	1	reservoir	Tris-HCl	100 (mM)