9WCC

CRYSTALS STRUCTURE OF A NOVEL CELLULOSE VARIANT FROM ACETIVIBRIO ALKALICELLULOSI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	51.354, 70.625, 75.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.980 - 1.520
R-factor	0.1654
Rwork	0.164
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.720	1.600
High resolution limit [Å]	1.510	1.510
Number of reflections	43868	6308
<I/σ(I)>	11.6
Completeness [%]	100.0	100
Redundancy	16.9	16.7
CC(1/2)	0.999	0.716

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	MES, PEG20000