6TBQ

AA13 Lytic polysaccharide monooxygenase from Aspergillus oryzae partially in Cu(II) state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.30
Spacegroup name	P 21 21 21
Unit cell lengths	46.305, 61.316, 72.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 1.720
R-factor	0.222
Rwork	0.221
R-free	0.26330
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4opb
RMSD bond length	0.011
RMSD bond angle	1.441
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.8.0230)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.900	1.760
High resolution limit [Å]	1.720	1.720
Rmeas	0.332	2.327
Number of reflections	21830	758
<I/σ(I)>	4.6	0.6
Completeness [%]	99.1
Redundancy	3.77
CC(1/2)	0.987	0.425

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	0.1 M buffer system (II) (0.2 M L-malic acid, 0.04 M MES, 0.4 M Tris) pH 5, 0.2 M Zn-acetate, 23% PEG 3000. The crystals were soaked in 0.09 M Buffer system (II) pH 5, 22.5% PEG 3000, 0.5 M Cu-acetate, 1 mg/ml BSA