12NV

Crystal structure of a GH26 enzyme (EiGH26a) in complex with Glucose-beta-1,4-Glucose-beta-1,4-Mannose

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	2025-11-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.977200
Spacegroup name	C 1 2 1
Unit cell lengths	67.311, 65.230, 84.229
Unit cell angles	90.00, 111.27, 90.00

Refinement procedure

Resolution	45.210 - 1.180
R-factor	0.162
Rwork	0.161
R-free	0.17570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.797
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.210	45.230	1.250
High resolution limit [Å]	1.180	3.520	1.180
Rmerge	0.035	0.013	0.776
Rmeas	0.049	0.018	1.097
Number of reflections	108183	2168	10156
<I/σ(I)>	7.13
Completeness [%]	96.0
Redundancy	6.716
CC(1/2)	0.999	0.999	0.356

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	0.2M magnesium chloride hexahydrate; 0.1M tris hydrochloride pH 8.5; 30% (w/v) PEG 4000