9R4U

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with isomaltose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-24
Detector	DECTRIS PILATUS4 X 2M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	106.973, 106.973, 126.835
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.280 - 1.960
R-factor	0.1839
Rwork	0.183
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.525
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]	49.280	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.010	0.317
Rmeas	0.015	0.448
Number of reflections	60596	5943
<I/σ(I)>	27.05	1.74
Completeness [%]	99.4
Redundancy	2
CC(1/2)	1.000	0.944

Crystallization Conditions

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