2AZQ

Crystal Structure of Catechol 1,2-Dioxygenase from Pseudomonas arvilla C-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Detector	SIEMENS
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	62.730, 71.520, 187.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.000 - 2.650
R-factor	0.238
Rwork	0.229
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dlt
RMSD bond length	0.013
RMSD bond angle	2.000
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	21.000
High resolution limit [Å]	2.650
Number of reflections	25259
<I/σ(I)>	9.9
Completeness [%]	84.4
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.6	291	Tris/Malate, PEG 8000, Magnesium acetate, pH 7.6, VAPOR DIFFUSION, temperature 291K