6GSG

Crystal structure of Aspergillus oryzae catechol oxidase complexed with resorcinol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97949
Spacegroup name	P 32 2 1
Unit cell lengths	114.037, 114.037, 92.463
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.422 - 2.192
R-factor	0.184
Rwork	0.182
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j3p
RMSD bond length	0.003
RMSD bond angle	0.620
Data reduction software	XDS
Phasing software	PHASER ((1.11.1_2575-000))
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.320
High resolution limit [Å]	2.190	2.190
Rmeas	0.078	1.207
Number of reflections	35804
<I/σ(I)>	1.25
Completeness [%]	97.8
Redundancy	6.4
CC(1/2)	0.999	0.553

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	1.5 M Lithium sulfate, 0.1 M Sodium acetate