9R4T

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-21
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.999
Spacegroup name	P 31 2 1
Unit cell lengths	107.237, 107.237, 127.024
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.400 - 2.300
R-factor	0.19
Rwork	0.189
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.494
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]	49.400	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.106	0.863
Rmeas	0.112	0.907
Number of reflections	37894	3755
<I/σ(I)>	11.63	1.56
Completeness [%]	99.6
Redundancy	10.7
CC(1/2)	0.998	0.938

Crystallization Conditions

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