9FDL

Crystal structure of the catalytic domain of an AA9 lytic polysaccharide monooxygenase from Thermothelomyces thermophilus (TtLPMO9F)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	55.891, 112.293, 262.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	131.536 - 2.330
Rwork	0.162
R-free	0.20410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.857
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	262.380	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.324	2.476
Rmeas	0.350	2.569
Rpim	0.132	0.681
Number of reflections	35897	48717
<I/σ(I)>	6.5
Completeness [%]	100.0
Redundancy	13.4	14.1
CC(1/2)	0.993	0.534

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.02 M of sodium formate, 0.02 M ammonium acetate, 0.02 M trisodium citrate, 0.02 M sodium potassium L-tartrate, 0.02 M sodium oxamate, 0.1 M MES/imidazole pH 6.5