9BWI

Crystal structure of cellulose oxidative enzyme in acidic pH with glycerol

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	2023-12-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.977180
Spacegroup name	P 31 2 1
Unit cell lengths	69.591, 69.591, 137.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.760 - 2.300
R-factor	0.2678
Rwork	0.267
R-free	0.29070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.497
Data reduction software	XDS
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]	45.760	6.830	2.440
High resolution limit [Å]	2.300	4.860	2.300
Rmerge	0.093	0.058	0.634
Rmeas	0.118	0.072	0.824
Number of reflections	17699	568	1609
<I/σ(I)>	4.73
Completeness [%]	54.8
Redundancy	9.4
CC(1/2)	0.996	0.994	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	3.5	291	PEG 6000, citric acid pH 3.0, glycerol