9R4P

Crystal structure of inactive (D164N) variant CtGH76 from Chaetomium thermophilum in complex with alpha-1,6-mannobiose

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	2021-02-23
Detector	DECTRIS PILATUS4 X 2M
Wavelength(s)	0.999
Spacegroup name	P 31 2 1
Unit cell lengths	107.090, 107.090, 127.267
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.350 - 2.460
R-factor	0.2022
Rwork	0.201
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.707
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]	49.350	2.548
High resolution limit [Å]	2.460	2.460
Number of reflections	30958	3035
<I/σ(I)>	12.82	1.16
Completeness [%]	99.3
Redundancy	20
CC(1/2)	0.998	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.0 M sodium/potassium tartrate 0.2 M lithium sulfate 0.1 M Tris pH 7.0