9I1U

Lytic polysaccharide monooxygenase from Cellvibrio japonicus - CjAA10B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-05
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	76.824, 74.922, 137.455
Unit cell angles	90.00, 102.09, 90.00

Refinement procedure

Resolution	75.120 - 1.900
Rwork	0.230
R-free	0.27610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.261
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	75.120	75.120	1.930
High resolution limit [Å]	1.900	10.410	1.900
Rmerge	0.068	0.027	0.819
Rmeas	0.088	0.034	1.067
Rpim	0.055	0.021	0.678
Number of reflections	119664	767	5829
<I/σ(I)>	11
Completeness [%]	99.5
Redundancy	4.6	4.3	4.4
CC(1/2)	0.999	0.999	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	292	0.1 M Tris pH 8.5, 1 M diammonium hydrogen phosphate