9R4S

Crystal structure of CtGH76 from Chaetomium thermophilum in complex with laminaribiose

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	2020-09-21
Detector	DECTRIS PILATUS4 X 2M
Wavelength(s)	0.999
Spacegroup name	P 31 2 1
Unit cell lengths	107.064, 107.064, 126.337
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.360 - 2.200
R-factor	0.1836
Rwork	0.182
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.714
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]	46.360	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.023	0.276
Rmeas	0.032	0.391
Number of reflections	42740	4217
<I/σ(I)>	10.5	2.17
Completeness [%]	99.4
Redundancy	2
CC(1/2)	0.999	0.929

Crystallization Conditions

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