4J3P

Crystal structure of full-length catechol oxidase from Aspergillus oryzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-10
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 32 2 1
Unit cell lengths	118.880, 118.880, 84.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.540 - 2.500
R-factor	0.191
Rwork	0.188
R-free	0.24500
Structure solution method	SAD AND MR
Starting model (for MR)	1wx2
RMSD bond length	0.018
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	22817
<I/σ(I)>	15.6	4.4
Completeness [%]	93.5	95.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5	294	1.7 M ammonium sulfate, 5% glycerol and 0.1 M sodium acetate at pH 4.5., VAPOR DIFFUSION, HANGING DROP, temperature 294K