7ZJB

Structural and functional characterization of the bacterial lytic polysaccharide Monooxygenase ScLPMO10D

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	2016-02-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97702
Spacegroup name	P 43 21 2
Unit cell lengths	59.080, 59.080, 145.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.810 - 1.370
R-factor	0.13045
Rwork	0.129
R-free	0.15232
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6if7
RMSD bond length	0.020
RMSD bond angle	2.104
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.570	1.420
High resolution limit [Å]	1.370	1.370
Rmerge	0.050	1.369
Number of reflections	55188	5301
<I/σ(I)>	22.5	1.6
Completeness [%]	99.8	99.6
Redundancy	12.6	12.7
CC(1/2)	1.000	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	2.0 M ammonium sulfate, 0.1 M sodium cacodylate pH 6.5