12NX

Crystal structure of a GH26 enzyme (EiGH26b)

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	2025-12-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.977200
Spacegroup name	P 1 21 1
Unit cell lengths	44.140, 69.760, 89.290
Unit cell angles	90.00, 102.56, 90.00

Refinement procedure

Resolution	43.580 - 1.950
R-factor	0.2003
Rwork	0.198
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.580	43.580	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.219	0.034	1.959
Rmeas	0.237	0.037	2.120
Number of reflections	38668	450	2877
<I/σ(I)>	8.49
Completeness [%]	99.8
Redundancy	6.685
CC(1/2)	0.994	0.999	0.494

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	0.1 M Sodium Acetate 4.6 pH, 2 M (NH4)2SO4