9R4Q

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with alpha-1,3-1,6-mannotriose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 31 2 1
Unit cell lengths	107.099, 107.099, 126.544
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.540 - 2.700
R-factor	0.1991
Rwork	0.197
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.662
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.540	2.796
High resolution limit [Å]	2.700	2.700
Number of reflections	23467	2307
<I/σ(I)>	15.45	1.48
Completeness [%]	99.5
Redundancy	20.4
CC(1/2)	0.998	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3.6 M sodium formate 10% (v/v) glycerol