4OPB

AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-08
Detector	MAR CCD 165 mm
Wavelength(s)	1.037
Spacegroup name	P 21 21 21
Unit cell lengths	46.560, 61.600, 73.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.500
R-factor	0.12107
Rwork	0.119
R-free	0.16997
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.993
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.590
High resolution limit [Å]	1.500	1.500
Number of reflections	32929
Completeness [%]	99.2	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	0.14M calcium chloride, 0.07M sodium acetate pH 4.6, 14 %v/v isopropanol, 30% v/v glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	0.14M calcium chloride, 0.07M sodium acetate pH 4.6, 14 %v/v isopropanol, 30% v/v glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K