9R4R

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with glucosamine

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	2024-02-21
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.968
Spacegroup name	P 31 2 1
Unit cell lengths	108.128, 108.128, 128.633
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.820 - 2.350
R-factor	0.2025
Rwork	0.201
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.470
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]	46.820	2.434
High resolution limit [Å]	2.350	2.350
Number of reflections	36013	2969
<I/σ(I)>	8.73	0.36
Completeness [%]	97.9
Redundancy	10.2
CC(1/2)	0.997	0.585

Crystallization Conditions

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