12NU

Crystal structure of a GH26 enzyme (EiGH26a) in complex with Mannose-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	2025-10-24
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.977200
Spacegroup name	C 1 2 1
Unit cell lengths	64.850, 65.320, 83.270
Unit cell angles	90.00, 109.23, 90.00

Refinement procedure

Resolution	44.670 - 1.600
R-factor	0.2562
Rwork	0.255
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.816
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]	44.670	44.702	1.700
High resolution limit [Å]	1.600	4.780	1.600
Rmerge	0.036	0.025	0.200
Rmeas	0.050	0.034	0.281
Number of reflections	43399	792	3863
<I/σ(I)>	6.56
Completeness [%]	99.7
Redundancy	6.48
CC(1/2)	0.998	0.998	0.904

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