1EOB

CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE IN COMPLEX WITH 3,4-DIHYDROXYBENZOATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1999-01-01
Detector	SIEMENS HI-STAR
Spacegroup name	I 2 3
Unit cell lengths	144.400, 144.400, 144.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.182
Rwork	0.182
R-free	0.22200
RMSD bond length	0.006
RMSD bond angle	1.460
Data scaling software	X-GEN
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.092	0.332
Number of reflections	25259
<I/σ(I)>	6.5
Completeness [%]	97.4	86.4
Redundancy	4.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	18 *	100mM Tris-HCl pH 7.0, 2.0 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K Crystals were soaked in 30mM PCA at pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	ammonium sulfate	1.8 (M)
3	1	reservoir	Tris-HCl	50 (mM)