5AA7

Structural and functional characterization of a chitin-active 15.5 kDa lytic polysaccharide monooxygenase domain from a modular chitinase from Jonesia denitrificans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	31.760, 74.330, 119.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.165 - 1.550
R-factor	0.151
Rwork	0.150
R-free	0.17430
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.006
RMSD bond angle	1.074
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXE
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.510	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	45097
<I/σ(I)>	30.3	5.4
Completeness [%]	97.2	79.6
Redundancy	11	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1