12NS

Crystal structure of a GH26 enzyme (EiGH26a) in complex with mannobiose

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	67.330, 65.250, 84.130
Unit cell angles	90.00, 111.11, 90.00

Refinement procedure

Resolution	45.250 - 1.070
R-factor	0.1585
Rwork	0.158
R-free	0.16670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.829
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]	45.250	10.000	1.130
High resolution limit [Å]	1.070	3.200	1.070
Rmerge	0.022	0.014	0.238
Rmeas	0.030	0.018	0.337
Number of reflections	146477	2149	9440
<I/σ(I)>	9.91
Completeness [%]	98.3
Redundancy	6.221
CC(1/2)	0.999	0.999	0.895

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