9BWH

Crystal structure of cellulose oxidative enzyme 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	2022-04-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.977
Spacegroup name	P 32 2 1
Unit cell lengths	72.689, 72.689, 98.739
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.850 - 1.650
R-factor	0.1715
Rwork	0.171
R-free	0.18590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.479
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]	38.850	4.920	1.750
High resolution limit [Å]	1.650	3.490	1.650
Rmerge	0.207	0.068	5.349
Rmeas	0.264	0.087	6.853
Number of reflections	36854	2383	5497
<I/σ(I)>	2.77
Completeness [%]	95.3
Redundancy	19.9
CC(1/2)	0.985	0.990	0.018

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	Trisodium citrate, HEPES buffer pH 7.5