1EO9

CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE AT PH < 7.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1993-01-01
Detector	SIEMENS-NICOLET X100
Spacegroup name	I 2 3
Unit cell lengths	145.060, 145.060, 145.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.179
Rwork	0.179
R-free	0.21000
RMSD bond length	0.006
RMSD bond angle	1.400 *
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	2.000
Rmerge	0.092 *	0.373
Number of reflections	25366
<I/σ(I)>	6.6
Completeness [%]	96.6	87.1
Redundancy	6.3	3.4

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

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)