9BWF

Crystal structure of cellulose oxidative enzyme without ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.3699
Spacegroup name	P 32 2 1
Unit cell lengths	72.218, 72.218, 94.943
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.810 - 2.200
R-factor	0.2276
Rwork	0.225
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.554
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.810	9.840	2.260
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.149	0.050	3.183
Rmeas	0.157	0.053	3.350
Number of reflections	28104	585	2086
<I/σ(I)>	10.05
Completeness [%]	100.0
Redundancy	19.6
CC(1/2)	0.999	0.999	0.454

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	PEGl 8000, 2-methyl-2,4-pentanediol, imidazole