7NTL

AA9 lytic polysaccharide monooxygenase (LPMO) from Malbranchea cinnamomea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	38.956, 43.128, 52.341
Unit cell angles	90.00, 101.81, 90.00

Refinement procedure

Resolution	38.130 - 1.380
R-factor	0.1629
Rwork	0.161
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ha5
RMSD bond length	0.006
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.130	1.430
High resolution limit [Å]	1.380	1.380
Rmerge	0.064	0.873
Rmeas	0.069	0.992
Number of reflections	34403	2911
<I/σ(I)>	13.69
Completeness [%]	92.3
Redundancy	6.4
CC(1/2)	0.999	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	298	100 mM phosphate/citrate buffer at pH 4.2 with 100 mM NaCl and 23.5 % PEG 8000.