1HAN

CRYSTAL STRUCTURE OF THE BIPHENYL-CLEAVING EXTRADIOL DIOXYGENASE FROM A PCB-DEGRADING PSEUDOMONAD

Experimental procedure

Temperature [K]	290
Detector technology	AREA DETECTOR
Collection date	1993-07
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	I 4 2 2
Unit cell lengths	122.580, 122.580, 111.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 1.900
R-factor	0.162
Rwork	0.162
R-free	0.19000
RMSD bond length	0.010
RMSD bond angle	25.200 *
Data reduction software	HKL ((DENZO))
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.225 *
Total number of observations	287451 *
Number of reflections	33261	3303 *
Completeness [%]	99.0
Redundancy	8.6	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	5-10 *	pH 7.5
1	Vapor diffusion *	7.5	5-10 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	18-22 (%)
2	1	reservoir	t-butanol	10-15 (%)